SCHEMBL185800

SCHEMBL185800

NCc1ccc(Nc2ccc(Cl)cc2Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
DHODH Q02127 1/20 0.41
ALOX15 P16050 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CG P48736 4/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CB P42338 3/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
PABPC1 P11940 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
SCHEMBL185996 0.87 TDO2 (0.41) MAPK1ALOX15KDM4EALDH1A1GAA
SCHEMBL185862 0.86 DHODH (0.42) DHODHALOX15NPC1KDM4ESMN1; SMN2
SCHEMBL185188 0.86 KMT2A (0.39) MAPK1ALOX15NPC1RAB9AKDM4E
SCHEMBL185746 0.82 F11 (0.40) DHODHGAAKMT2AMEN1USP2
SCHEMBL185410 0.82 RAB9A (0.39) DHODHALOX15NPC1RAB9AKDM4E
SCHEMBL19418561 0.80 CNR2 (0.35) DHODHALOX15NPC1RAB9AKDM4E
SCHEMBL18202751 0.77 LOXL2 (0.32)
Trifluoroacetic Acid SCHEMBL2811073 0.76 RAB9A (0.42) DHODHNPC1RAB9AKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL186252 0.76 DHODH (0.40) DHODHNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL186593 0.73 CHEK1 (0.46) MAPK1DHODHPIK3CGPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MAPK1 2941/4885DHODH 2925/4885ALOX15 2796/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MAPK1 2941/4885DHODH 2925/4885ALOX15 2796/4885

“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.