SCHEMBL3583402

SCHEMBL3583402

Cn1c(-c2cc(O)c(O)c([N+](=O)[O-])c2)ccc1-c1c(Cl)cncc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.40
COMT P21964 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAOA P21397 5/20 0.38
MAOB P27338 4/20 0.38
GPR35 Q9HC97 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL1446989 0.85 TTR (0.41) TTRCOMTCRHBPCRHR2MAOA
SCHEMBL3581128 0.84 COMT (0.41) TTRCOMTCRHBPCRHR2MAOA
SCHEMBL3593770 0.80 COMT (0.43) TTRCOMTCRHBPCRHR2MAOA
SCHEMBL3876216 0.79 COMT (0.46) TTRCOMTCRHBPCRHR2MAOA
SCHEMBL3588676 0.79 TTR (0.44) TTRCOMTCRHBPCRHR2MAOA
SCHEMBL3584757 0.78 GPR35 (0.38) TTRCOMTCRHBPCRHR2GPR35
SCHEMBL3588213 0.78 COMT (0.47) TTRCOMTCRHBPCRHR2MAOA
SCHEMBL3586161 0.77 DUSP3 (0.52) TTRCOMTCRHBPCRHR2GPR35
SCHEMBL1446995 0.77 COMT (0.53) TTRCOMTCRHBPCRHR2MAOA
SCHEMBL3583713 0.76 CTSB (0.40) TTRCOMTCRHBPCRHR2MAOA

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 TTR 2094/4885COMT 10/4885CRHBP 2476/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 TTR 2094/4885COMT 10/4885CRHBP 2476/4885

“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.