SCHEMBL3224329

SCHEMBL3224329

Cc1cc(Br)c(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 3/20 0.45
PRKDC P78527 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP1A2 P05177 1/20 0.44
TSHR P16473 3/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL6358033 0.86 ERN1 (0.47) ERN1ALDH1A1CYP3A4PRKDCMAPT
SCHEMBL29036632 0.83 CYP3A4 (0.49) ERN1ALDH1A1CYP3A4PRKDCMAPT
SCHEMBL2442735 0.81 CYP1A2 (0.53) ALDH1A1CYP3A4MAPTHSD17B10CYP1A2
SCHEMBL23664474 0.80 ALDH1A1 (0.46) ERN1ALDH1A1CYP3A4MAPTCYP1A2
SCHEMBL9910897 0.79 CYP3A4 (0.58) ERN1ALDH1A1CYP3A4PRKDCMAPT
SCHEMBL1808550 0.79 ALDH1A1 (0.49) ERN1ALDH1A1CYP3A4PRKDCMAPT
SCHEMBL8793429 0.79 CYP1A2 (0.52) ALDH1A1CYP3A4MAPTHSD17B10CYP1A2
SCHEMBL21566 0.79 CYP1A2 (0.57) ALDH1A1CYP3A4MAPTHSD17B10CYP1A2
SCHEMBL29727863 0.79 CYP1A2 (0.57) ALDH1A1CYP3A4MAPTHSD17B10CYP1A2
SCHEMBL2924691 0.79 ERN1 (0.50) ERN1ALDH1A1CYP3A4PRKDCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721536-B Phenyl-substituted fused tricyclic compounds and application thereof 广东东阳光药业有限公司 2020-11-24 CN disclosed
CN-109721536-A The fused tricyclic class compound and application thereof that phenyl replaces 广东东阳光药业有限公司 2019-05-07 CN disclosed
CN-101631461-B Fluoroalkyl phenylamidines and the purposes as bactericide thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-24 CN disclosed
EP-2134170-B1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER IP GMBH (DE) 2015-06-03 EP disclosed
US-8299301-B2 Fluoralkylphenylamidines and the use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
US-20100056477-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2010-03-04 US disclosed
US-20100056477-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2010-03-04 US disclosed
US-20100056477-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2010-03-04 US disclosed
CN-101631461-A Fluoroalkyl phenylamidines and their use as fungicides BAYER CROPSCIENCE AG 2010-01-20 CN disclosed
EP-2134170-A1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-23 EP disclosed
EP-2088859-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS Bayer CropScience AG (DE) 2009-08-19 EP disclosed
WO-2008110314-A1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-18 WO disclosed
EP-1969931-A1 Fluoroalkyl phenylamidines and their use as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-09-17 EP disclosed
WO-2008064780-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2008-06-05 WO disclosed
WO-2008064780-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2008-06-05 WO disclosed
EP-0691973-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-01-17 EP disclosed
WO-1994022871-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-10-13 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 (2 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-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES PFAS, DDT, PAH ERN1 2620/4885ALDH1A1 526/4885CYP3A4 36/4885
US-20100056477-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS NIT2, MLN, ACR ERN1 3343/4885ALDH1A1 3823/4885CYP3A4 123/4885

“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.