SCHEMBL289422

SCHEMBL289422

CCOc1ccc(-c2cc(Cl)c3ccc(OC)c(Br)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 5/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 1/20 0.39
ACACA Q13085 1/20 0.39
MAOB P27338 2/20 0.38

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
SCHEMBL10015193 0.85 KDM4E (0.45) KDM4EALDH1A1GAASMN1; SMN2HSD17B10
SCHEMBL15433942 0.84 CYP19A1 (0.39) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL289476 0.84 TDO2 (0.44) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL288379 0.84 MEN1 (0.50) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL288188 0.82 RAC1 (0.49) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL289558 0.81 TDO2 (0.46) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL289177 0.77 SMN1; SMN2 (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL289055 0.77 PDGFRB (0.39) KMT2AMAPTNPC1RAB9AADORA2A
SCHEMBL288637 0.77 F2 (0.40) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL298572 0.77 MAP3K11 (0.43) MEN1KMT2ANPC1RAB9ACYP11B1

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 8 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-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 KDM4E 2953/4885ALDH1A1 385/4885GAA 442/4885

“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.