SCHEMBL3586720

SCHEMBL3586720

Cc1ccc(-c2ccc(-c3cc(O)c(O)c([N+](=O)[O-])c3)n2C)c(Br)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
CTSB P07858 1/20 0.38
CTSH P09668 1/20 0.38
COMT P21964 2/20 0.37
MAPT P10636 3/20 0.37
GPR35 Q9HC97 4/20 0.37
MAOA P21397 5/20 0.37
MAOB P27338 4/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TTR P02766 2/20 0.36
ABCC3 O15438 1/20 0.36
ABCC4 O15439 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
HTR1A P08908 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
RARB P10826 1/20 0.36

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
SCHEMBL3581377 0.87 HSD11B1 (0.39) CTSBCTSHCOMTMAPTGPR35
SCHEMBL3583713 0.87 CTSB (0.40) ARCTSBCTSHCOMTMAPT
SCHEMBL3588804 0.80 COMT (0.41) CTSBCOMTMAPTGPR35MAOA
SCHEMBL1447112 0.80 COMT (0.39) ARCOMTMAPTGPR35MAOA
SCHEMBL3580684 0.79 TTR (0.38) ARCOMTMAPTGPR35MAOA
SCHEMBL3592774 0.78 COMT (0.55) COMTMAPTHPGDMAPK1
SCHEMBL3595352 0.78 COMT (0.43) CTSBCTSHCOMTMAPTGPR35
SCHEMBL3577273 0.78 CTSB (0.38) CTSBCTSHCOMTMAPTGPR35
SCHEMBL3582061 0.77 COMT (0.52) COMTMAPTHPGDMAPK1
SCHEMBL3582058 0.77 EIF4E (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 AR 2456/4885CTSB 2245/4885CTSH 2712/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 AR 2456/4885CTSB 2245/4885CTSH 2712/4885

“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.