SCHEMBL3763258

SCHEMBL3763258

Cc1sc(Br)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.50
MAOB P27338 8/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
AR P10275 1/20 0.49
HTR7 P34969 1/20 0.49
ALOX5 P09917 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
OPRK1 P41145 1/20 0.46
GSTO1 P78417 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 2/20 0.45
XIAP P98170 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL12618487 0.81 RARA (0.65) MAOAMAOBALDH1A1MEN1MAPT
SCHEMBL2093741 0.81 ALDH1A1 (0.59) MAOAMAOBALDH1A1MEN1MAPT
SCHEMBL9572144 0.80 ALDH1A1 (0.51) ALDH1A1MAPTRARARARBRARG
SCHEMBL2096231 0.79 RARA (0.73) MAOAMAOBALDH1A1MEN1MAPT
SCHEMBL3147980 0.78 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6810806 0.78 AR (0.51) MAOAMAOBALDH1A1MEN1MAPT
SCHEMBL9094012 0.78 MAOA (0.49) MAOAMAOBALDH1A1MEN1MAPT
SCHEMBL330423 0.78 SMN1; SMN2 (0.64) MAOAMAOBALDH1A1MEN1MAPT
SCHEMBL6927574 0.78 MAOA (0.49) MAOAMAOBALDH1A1MEN1MAPT
SCHEMBL16990923 0.77 ALDH1A1 (0.62) ALDH1A1MEN1MAPTKMT2AALOX5

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
US-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 US disclosed
US-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 US disclosed
US-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
WO-2015005305-A1 ALXR AGONIST COMPOUND 小野薬品工業株式会社 (JP) 2015-01-15 WO disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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 (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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 MAOA 31/4885MAOB 56/4885ALDH1A1 353/4885
US-20160145249-A1 ALXR AGONIST COMPOUND MRGPRX2, MRGPRX1, MRGPRX4 MAOA 1453/4885MAOB 2103/4885ALDH1A1 1112/4885

“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.