SCHEMBL289572

SCHEMBL289572

N#Cc1ccc(C(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.61
ALDH1A1 P00352 2/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 2/20 0.46
CASP6 P55212 1/20 0.45
PARP1 P09874 1/20 0.44
GRIA1 P42261 2/20 0.43
GRIA2 P42262 2/20 0.43
GRIA3 P42263 2/20 0.43
GRIA4 P48058 2/20 0.43
GRM6 O15303 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
APEX1 P27695 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL288907 0.85 CASP6 (0.64) VCAM1TSHRCASP6APEX1LMNA
SCHEMBL15208519 0.85 PARP1 (0.61) VCAM1ALDH1A1MAPTTSHRCASP6
SCHEMBL28432435 0.84 CASP6 (0.62) VCAM1TSHRCASP6APEX1LMNA
SCHEMBL23037538 0.83 CASP6 (0.60) VCAM1TSHRCASP6APEX1LMNA
SCHEMBL16953006 0.82 VCAM1 (0.58) VCAM1MAPTTSHRCASP6PARP1
SCHEMBL3218371 0.80 VCAM1 (0.58) VCAM1ALDH1A1MAPTPOLBHPGD
SCHEMBL1184420 0.80 VCAM1 (0.53) VCAM1ALDH1A1MAPTTSHRCASP6
SCHEMBL23037537 0.80 VCAM1 (0.53) VCAM1ALDH1A1MAPTTSHRCASP6
SCHEMBL15208644 0.80 VCAM1 (0.53) VCAM1ALDH1A1MAPTTSHRCASP6
SCHEMBL667615 0.80 ALDH1A1 (0.53) VCAM1ALDH1A1TSHRCASP6PARP1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106242998-B Use of 4-cyano-3-benzoylamino-N-phenyl-benzamides in pesticides 先正达参股股份有限公司 2021-11-05 CN disclosed
US-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
EP-2976327-A2 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
EP-2427427-B1 4-CYANO-3-BENZOYLAMINO-N-PHENYL-BENZAMIDES FOR USE IN PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2013-12-25 EP disclosed
US-8431514-B2 4-cyano-3-benzoylamino-N-phenyl-benzamides for use in pest control SYNGENTA CROP PROTECTION LLC (US) 2013-04-30 US disclosed
US-20120122975-A1 4-CYANO-3-BENZOYLAMINO-N-PHENYL-BENZAMIDES FOR USE IN PEST CONTROL SYNGENTA CROP PROTECTION LLC (US) 2012-05-17 US disclosed
EP-2427427-A1 4 -CYANO- 3 -BENZOYLAMINO-N- PHENYL-BENZAMIDES FOR USE IN PEST CONTROL Syngenta Participations AG (CH) 2012-03-14 EP disclosed
WO-2010127926-A1 4 -CYANO- 3 -BENZOYLAMINO-N- PHENYL-BENZAMIDES FOR USE IN PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2010-11-11 WO disclosed
US-4052444-A DIAZO COUPLERS FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 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-20160263122-A1 NOVEL COMPOUNDS NAT1, AADAC, CBR3 VCAM1 4829/4885ALDH1A1 264/4885MAPT 4523/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 VCAM1 4663/4885ALDH1A1 277/4885MAPT 4419/4885
US-20120122975-A1 4-CYANO-3-BENZOYLAMINO-N-PHENYL-BENZAMIDES FOR USE IN PEST CONTROL NISCH, AADAC, ACHE VCAM1 4848/4885ALDH1A1 989/4885MAPT 3060/4885

“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.