SCHEMBL8089252

SCHEMBL8089252

Cc1c(Br)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.61
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 3/20 0.50
DAO P14920 1/20 0.50
DDO Q99489 1/20 0.50
GPR3 P46089 1/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KIF11 P52732 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL14564175 0.78 AHR (0.47) AHRALDH1A1HSD17B10DAODDO
SCHEMBL7195762 0.78 AHR (0.70) AHRALDH1A1HSD17B10DAODDO
SCHEMBL8089249 0.77 ALDH1A1 (0.50) AHRALDH1A1HSD17B10GPR3MAPT
SCHEMBL7897739 0.77 AHR (0.61) AHRALDH1A1HSD17B10DAODDO
SCHEMBL154593 0.76 AHR (1.00) AHRALDH1A1HSD17B10DAODDO
SCHEMBL29420757 0.76 AHR (1.00) AHRALDH1A1HSD17B10DAODDO
SCHEMBL29766929 0.76 ALDH1A1 (0.55) AHRALDH1A1HSD17B10GPR3MAPT
SCHEMBL3197310 0.76 ALDH1A1 (0.55) AHRALDH1A1HSD17B10GPR3MAPT
SCHEMBL21977684 0.75 DAO (0.62) AHRALDH1A1HSD17B10DAODDO
SCHEMBL31018132 0.75 DAO (0.62) AHRALDH1A1HSD17B10DAODDO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
CN-104725296-B Indole derivatives and its application in field of organic electroluminescence 北京鼎材科技有限公司 2019-11-29 CN disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
EP-0555537-B1 Endothelin antagonists BANYU PHARMA CO LTD (JP) 2000-11-02 EP disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP 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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT AHR 65/4885ALDH1A1 119/4885HSD17B10 812/4885

“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.