SCHEMBL288555

SCHEMBL288555

COc1ccc2c(Cl)cc(Cl)nc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 2/20 0.40
NQO2 P16083 6/20 0.40
PDE4D Q08499 1/20 0.39
PDE10A Q9Y233 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.36
GFER P55789 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CRHR1 P34998 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35

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
SCHEMBL314537 0.83 ALDH1A1 (0.42) ALDH1A1NQO2PDE4DPDE10AMAPT
SCHEMBL313086 0.83 ALDH1A1 (0.42) CYP19A1CYP11B1CYP11B2ALDH1A1NQO2
SCHEMBL288379 0.80 MEN1 (0.50) CYP19A1CYP11B1CYP11B2ALDH1A1PDE10A
SCHEMBL289182 0.79 HSP90AA1 (0.49) CYP19A1CYP11B1CYP11B2ALDH1A1HSP90AA1
SCHEMBL29420526 0.78 NQO2 (0.54) ALDH1A1NQO2PDE10AMAPTLMNA
SCHEMBL1564603 0.78 NQO2 (0.54) ALDH1A1NQO2PDE10AMAPTLMNA
SCHEMBL10015181 0.78 MAPT (0.41) ALDH1A1NQO2MAPTLMNAKDM4E
SCHEMBL289476 0.78 TDO2 (0.44) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL26998839 0.77 NQO2 (0.44) ALDH1A1NQO2MAPTKDM4E
SCHEMBL15433942 0.76 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427434-B1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INT (DE) 2017-05-31 EP disclosed
EP-2427434-B1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INT (DE) 2017-05-31 EP disclosed
US-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
EP-2427434-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES Boehringer Ingelheim International GmbH (DE) 2012-03-14 EP disclosed
WO-2010129451-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 WO disclosed
WO-2010129451-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 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 (1 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-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES HCCS, CYP3A7, ABL1 CYP19A1 317/4885CYP11B1 84/4885CYP11B2 120/4885

“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.