SCHEMBL197935

SCHEMBL197935

Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.53
MET P08581 7/20 0.51
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE7A Q13946 1/20 0.45
S1PR4 O95977 1/20 0.44
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30844467 1.00 HSPB1 (0.53) HSPB1METMEN1ALDH1A1MAPT
SCHEMBL26608049 0.84 HSPB1 (0.53) HSPB1MEN1ALDH1A1MAPTKMT2A
SCHEMBL29414896 0.84 ALDH1A1 (0.49) HSPB1MEN1ALDH1A1MAPTKMT2A
SCHEMBL1192691 0.84 ALDH1A1 (0.49) HSPB1MEN1ALDH1A1MAPTKMT2A
SCHEMBL30222233 0.84 PDE7A (0.65) MEN1ALDH1A1MAPTKMT2APDE7A
SCHEMBL4340804 0.84 PDE7A (0.65) MEN1ALDH1A1MAPTKMT2APDE7A
SCHEMBL4334075 0.83 HSPB1 (0.47) HSPB1METMEN1ALDH1A1MAPT
SCHEMBL2475433 0.83 HTT (0.55) MEN1ALDH1A1MAPTKMT2APDE7A
SCHEMBL4729747 0.82 HSPB1 (0.64) HSPB1MEN1ALDH1A1MAPTKMT2A
SCHEMBL27668740 0.81 PYGL (0.51) HSPB1MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843567-A Diazaaryl ring substituted benzene derivatives, compositions and uses thereof 康迈迪森(北京)医药科技有限公司 2024-04-09 CN disclosed
CN-112876457-A Novel 4-phenoxypyridine derivative and application thereof 辽宁大学 2021-06-01 CN disclosed
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP disclosed
US-9840477-B2 Cyclopropanecarboxamido-substituted aromatic compounds as anti-tumor agents CB THERAPEUTICS INC. (KY) 2017-12-12 US disclosed
US-9840477-B2 Cyclopropanecarboxamido-substituted aromatic compounds as anti-tumor agents CB THERAPEUTICS INC. (KY) 2017-12-12 US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 US disclosed
EP-1881976-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS Amgen Inc., (US) 2008-01-30 EP disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
CN-1906166-A Novel pyridine derivative and pyrimidine derivative (1) EISAI CO LTD (JP) 2007-01-31 CN disclosed
CN-1906167-A Novel pyridine derivative and pyrimidine derivative (2) EISAI CO LTD (JP) 2007-01-31 CN disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
WO-2006116713-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2006-11-02 WO disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 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 (3 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-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents BRAF, RAF1, ARAF HSPB1 680/4885MET 534/4885MEN1 4384/4885
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 HSPB1 773/4885MET 2/4885MEN1 3696/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF HSPB1 825/4885MET 2/4885MEN1 3870/4885

“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.