SCHEMBL837902

SCHEMBL837902

Nc1nn([N+](=O)[O-])c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ P2RX4 Q99571 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8037251 0.79 S100A4 (0.38) MAPTKDM4ELMNAALDH1A1NPC1
SCHEMBL1253991 0.79 MAPT (0.38) MAPTLMNAALDH1A1NPC1XBP1
SCHEMBL2723844 0.76 ELANE (0.51) MAPTKDM4ELMNAALDH1A1NPC1
SCHEMBL2267753 0.76 HSD17B10 (0.49) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL1965937 0.75 TSHR (0.42) MAPTKDM4EALDH1A1NPSR1HPGD
SCHEMBL6852637 0.71 NPC1 (0.53) MAPTLMNAADORA2AALDH1A1NPC1
SCHEMBL628648 0.69 KDM4E (0.42) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL823488 0.67 GSK3B (0.45) KDM4EALDH1A1HPGDHSD17B10LIMK1
SCHEMBL27623423 0.67 KDM4E (0.41) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL13030846 0.67 KDM4E (0.41) MAPTKDM4EALDH1A1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865130-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2014-10-21 — — US claimed
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2013-02-28 — — US claimed
US-8143302-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2012-03-27 — — US claimed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 — — US claimed
US-7736624-B2 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy UNIV VANDERBILT (US) 2010-06-15 — — US claimed
EP-2040699-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 Vanderbilt University Medical Center (US) 2009-04-01 — — EP claimed
WO-2007149456-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2007-12-27 — — WO claimed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 — — US claimed
US-12605469-B2 Tumor specific antibody conjugates and uses therefor THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2026-04-21 — — US disclosed
US-20260007783-A1 A 3E8.scFv.Cys-IR800 Conjugate Targeting TAG-72 in an Orthotopic colorectal cancer model OHIO STATE INNOVATION FOUNDATION (US) 2026-01-08 — — US disclosed
US-20250242062-A1 ANTI-COX-2 NANOBODIES FOR ENDOSCOPIC VISUALIZATION OF COLORECTAL ADENOMAS VANDERBILT UNIVERSITY 2025-07-31 — — US disclosed
US-12370273-B2 3E8.scFv.Cys-IR800 conjugate targeting TAG-72 in an orthotopic colorectal cancer model Ohio Sate Innovation Foundation (US) 2025-07-29 — — US disclosed
US-12059429-B2 Hornerin: a novel non-VEGF mediated angiogenic protein expressed in both human and mouse angiogenic endothelial cells and human pancreatic cancer cells UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-08-13 — — US disclosed
US-20240166762-A1 METHODS AND COMPOSITIONS RELATED TO ANTIBODY FRAGMENTS THAT BIND TO TUMOR-ASSOCIATED GLYCOPROTEIN 72 (TAG-72) OHIO STATE INNOVATION FOUNDATION (US) 2024-05-23 — — US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 — — US disclosed
US-7736624-B2 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy UNIV VANDERBILT (US) 2010-06-15 — — US disclosed
EP-2040699-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 Vanderbilt University Medical Center (US) 2009-04-01 — — EP disclosed
WO-2007149456-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2007-12-27 — — WO disclosed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 — — US disclosed
US-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 MAPT 2607/4885KDM4E 4585/4885LMNA 2338/4885
US-20260007783-A1 A 3E8.scFv.Cys-IR800 Conjugate Targeting TAG-72 in an Orthotopic colorectal cancer model CD74, LY96, TPD52L2 MAPT 1289/4885KDM4E 3673/4885LMNA 3675/4885
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 MAPT 2603/4885KDM4E 4440/4885LMNA 3249/4885
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 MAPT 2607/4885KDM4E 4585/4885LMNA 2338/4885
US-12605469-B2 Tumor specific antibody conjugates and uses therefor MUC1, CD47, CD44 MAPT 1729/4885KDM4E 3288/4885LMNA 3418/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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