SCHEMBL2787429

SCHEMBL2787429

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.72
▸ KMT2A Q03164 5/20 0.72
▸ MEN1 O00255 4/20 0.72
▸ HTT P42858 3/20 0.72
▸ LMNA P02545 3/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ TRPV1 Q8NER1 2/20 0.61
▸ RAB9A P51151 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.59
▸ GRIK1 P39086 1/20 0.57
▸ MTOR P42345 1/20 0.53
▸ KDR P35968 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TP53 P04637 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ KIF11 P52732 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52

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
SCHEMBL22025453 0.86 MAPT (0.70) MAPTKMT2AMEN1HTTLMNA
SCHEMBL31650490 0.86 KMT2A (0.70) MAPTKMT2AMEN1HTTLMNA
SCHEMBL1455469 0.85 MAPT (0.65) MAPTKMT2AMEN1HTTLMNA
SCHEMBL811365 0.85 MAPT (0.60) MAPTKMT2AMEN1HTTLMNA
SCHEMBL17664539 0.85 KMT2A (0.60) MAPTKMT2AMEN1HTTLMNA
SCHEMBL6813819 0.84 LMNA (1.00) MAPTKMT2AMEN1HTTLMNA
SCHEMBL17103677 0.83 TRPV1 (0.72) MAPTKMT2AMEN1HTTLMNA
SCHEMBL29572518 0.83 TRPV1 (0.72) MAPTKMT2AMEN1HTTLMNA
SCHEMBL29591310 0.83 MAPT (0.72) MAPTKMT2AMEN1HTTLMNA
SCHEMBL17103663 0.82 MEN1 (0.75) MAPTKMT2AMEN1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4431959-B2 — — 2010-03-17 — — JP claimed
US-20080221215-A1 ANTIVIRAL INHIBITION OF CAPSID PROTEINS SUMMERS MICHAEL F 2008-09-11 — — US claimed
EP-1513959-A4 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS UNIV MARYLAND AT BALTIMORE COU (US) 2008-07-23 — — EP claimed
JP-2005536717-A — — 2005-12-02 — — JP claimed
EP-1513959-A2 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS University of Maryland at Baltimore County (US) 2005-03-16 — — EP claimed
US-20030228573-A1 Antiviral inhibition of capsid proteins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-11 — — US claimed
WO-2003089615-A2 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2003-10-30 — — WO claimed
US-20080221215-A1 ANTIVIRAL INHIBITION OF CAPSID PROTEINS SUMMERS MICHAEL F 2008-09-11 — — US disclosed
EP-1513959-A4 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS UNIV MARYLAND AT BALTIMORE COU (US) 2008-07-23 — — EP disclosed
US-7361459-B2 Antiviral inhibition of capsid proteins UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2008-04-22 — — US disclosed
US-7361459-B2 Antiviral inhibition of capsid proteins UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2008-04-22 — — US disclosed
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 — — EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 — — US disclosed
US-7119120-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-10-10 — — US disclosed
EP-1513959-A2 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS University of Maryland at Baltimore County (US) 2005-03-16 — — EP disclosed
EP-1465638-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-10-13 — — EP disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 — — US disclosed
US-20030228573-A1 Antiviral inhibition of capsid proteins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-11 — — US disclosed
WO-2003089615-A2 ANTIVIRAL INHIBITIONS OF CAPSID PROTEINS UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2003-10-30 — — WO disclosed
WO-2003057225-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-07-17 — — WO 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 (4 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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 MAPT 3148/4885KMT2A 4536/4885MEN1 2905/4885
US-20080221215-A1 ANTIVIRAL INHIBITION OF CAPSID PROTEINS CAPRIN1, CAPG, NCBP1 MAPT 2146/4885KMT2A 4810/4885MEN1 4844/4885
US-20030228573-A1 Antiviral inhibition of capsid proteins CAPRIN1, CAPG, NCBP1 MAPT 2146/4885KMT2A 4810/4885MEN1 4844/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 MAPT 3058/4885KMT2A 4634/4885MEN1 2248/4885

“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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