SCHEMBL3581807

SCHEMBL3581807

Cn1c(-c2cc(O)c(O)c([N+](=O)[O-])c2)nnc1-c1cccc(F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAOA P21397 5/20 0.39
MAOB P27338 4/20 0.39
GPR35 Q9HC97 5/20 0.37
TTR P02766 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
RECQL P46063 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
BLM P54132 2/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
PMP22 Q01453 2/20 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
SCHEMBL1447344 0.81 COMT (0.38) CRHBPCRHR2MAOAMAOBGPR35
SCHEMBL3588553 0.80 MEN1 (0.42) CRHBPCRHR2MAOAMAOBGPR35
SCHEMBL3580366 0.78 RAB9A (0.41) CRHBPCRHR2MAOAMAOBGPR35
SCHEMBL3586613 0.77 ALDH1A1 (0.44) MAOAMAOBGPR35TTRMEN1
SCHEMBL3583091 0.77 MAPT (0.45) CRHBPCRHR2MAOAMAOBGPR35
SCHEMBL1447983 0.77 COMT (0.38) CRHBPCRHR2MAOAMAOBGPR35
SCHEMBL3589466 0.77 TTR (0.40) CRHBPCRHR2MAOAMAOBGPR35
SCHEMBL1446893 0.77 HSD11B1 (0.40) CRHBPCRHR2MAOAMAOBGPR35
SCHEMBL3589540 0.75 TUBB4A (0.41) CRHBPCRHR2MAOAMAOBGPR35
SCHEMBL3587859 0.75 COMT (0.48) CRHBPCRHR2GPR35TTRMEN1

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 CRHBP 2476/4885CRHR2 1136/4885MAOA 306/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 CRHBP 2476/4885CRHR2 1136/4885MAOA 306/4885

“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.