SCHEMBL3713705

SCHEMBL3713705

CSCc1cncc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 2/20 0.34
TACR1 P25103 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2A6 P11509 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL13727293 0.80 PKM (0.45) HTTMAPTSMN1; SMN2USP2ALDH1A1
SCHEMBL22667088 0.80 USP2 (0.40) HTTMAPTSMN1; SMN2USP2ALDH1A1
SCHEMBL21424512 0.77 CYP11B1 (0.40) HCAR2
SCHEMBL10682400 0.76 HTT (0.43) HTTMAPTSMN1; SMN2USP2ALDH1A1
SCHEMBL670394 0.76
SCHEMBL14157337 0.76
SCHEMBL30895742 0.76
SCHEMBL25328621 0.75 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL30515549 0.75 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL27314230 0.75 POLB (0.40) ALDH1A1POLBHCAR2KDM4E

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-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2991985-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2016-03-09 EP disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 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-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, REN HTT 4281/4885MAPT 3251/4885SMN1; SMN2 3881/4885

“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.