SCHEMBL837904

SCHEMBL837904

Nc1n[nH]c2cccc([N+](=O)[O-])c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ PDPK1 O15530 2/20 0.53
▸ NOS1 P29475 3/20 0.49
▸ MAP2K1 Q02750 2/20 0.49
▸ KDR P35968 4/20 0.47
▸ KIT P10721 2/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ CDK1 P06493 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ CDK7 P50613 2/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CCNE2 O96020 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CCNH P51946 1/20 0.47

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
SCHEMBL1253994 0.81 NOS1 (0.50) NOS1KDM4ECYP3A4MEN1CYP1A2
SCHEMBL1172817 0.80 NOS1 (0.49) GAAPDPK1NOS1KDM4ECYP3A4
SCHEMBL1171722 0.80 NOS1 (0.50) GAANOS1KDM4ECYP3A4MEN1
SCHEMBL1172395 0.80 NOS1 (0.49) GAANOS1KDM4ECYP3A4MEN1
SCHEMBL1172797 0.80 NOS1 (0.49) GAANOS1MAPK8KDM4ECYP3A4
SCHEMBL9941730 0.80 NOS1 (0.49) GAANOS1KDM4ECYP3A4MEN1
SCHEMBL2721094 0.78 NOS1 (0.44) NOS1CDK2KDM4ECYP3A4MEN1
Methyl Alcohol SCHEMBL27939963 0.78 NOS1 (0.46) GAANOS1KDM4ECYP3A4MEN1
SCHEMBL29009519 0.78 NOS1 (0.46) GAANOS1AURKAAURKBKDM4E
SCHEMBL2723846 0.76 NOS1 (0.45) GAANOS1MAP2K1LRRK2KDM4E

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 101 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
CN-101528222-A Methods and compositions for diagnostic and therapeutic targeting of COX-2 UNIV VANDERBILT (US) 2009-09-09 — — CN 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-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
CN-101528222-A Methods and compositions for diagnostic and therapeutic targeting of COX-2 UNIV VANDERBILT (US) 2009-09-09 — — CN 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 GAA 1317/4885PDPK1 3432/4885NOS1 1278/4885
US-20260007783-A1 A 3E8.scFv.Cys-IR800 Conjugate Targeting TAG-72 in an Orthotopic colorectal cancer model CD74, LY96, TPD52L2 GAA 4274/4885PDPK1 4791/4885NOS1 3853/4885
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 GAA 1476/4885PDPK1 2819/4885NOS1 516/4885
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 GAA 1317/4885PDPK1 3432/4885NOS1 1278/4885
US-12605469-B2 Tumor specific antibody conjugates and uses therefor MUC1, CD47, CD44 GAA 1924/4885PDPK1 4388/4885NOS1 43/4885

“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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