SCHEMBL6479672

SCHEMBL6479672

O=c1oc2c([N+](=O)[O-])c(O)c(O)cc2cc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.59
ADORA1 P30542 9/20 0.59
ADORA2A P29274 9/20 0.59
MAOB P27338 4/20 0.55
GPR35 Q9HC97 3/20 0.48
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MIF P14174 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL6490869 0.84 NPC1 (0.56) ADORA3ADORA1ADORA2AMAOBGPR35
SCHEMBL6478883 0.81 ADORA3 (0.60) ADORA3ADORA1ADORA2AMAOBGPR35
SCHEMBL6490859 0.77 GPR35 (0.76) MAOBGPR35ALDH1A1
SCHEMBL8121046 0.75 ADORA2A (1.00) ADORA3ADORA1ADORA2AMAOBNPC1
SCHEMBL6480410 0.72 RAB9A (0.53) ADORA3ADORA1ADORA2AMAOBNPC1
SCHEMBL1609267 0.72 GPR35 (0.51) GPR35
SCHEMBL8108312 0.71 ADORA2A (0.70) ADORA3ADORA1ADORA2AMAOBKDM4E
SCHEMBL1706855 0.70 PON1 (0.72) ADORA3ADORA1ADORA2AMAOBGPR35
SCHEMBL3364697 0.69 GPR35 (0.45) GPR35PKM
SCHEMBL6480420 0.69 ADORA3 (0.54) ADORA3ADORA1ADORA2AMAOBGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951870-B2 Coumarin derivatives with COMT inhibiting activity ORION CORPORATION (FI) 2005-10-04 US disclosed
CN-1199963-C Coumarin derivatives with COMT inhibiting activity ORION CORP (FI) 2005-05-04 CN disclosed
US-20040110750-A9 Coumarin derivatives with comt inhibiting activity ORION CORPORATION (FI) 2004-06-10 US disclosed
EP-1301503-B1 COUMARIN DERIVATIVES WITH COMT INHIBITING ACTIVITY ORION CORP (FI) 2004-02-25 EP disclosed
US-20030186975-A1 Coumarin derivatives with comt inhibiting activity PYSTYNEN JARMO (FI) 2003-10-02 US disclosed
CN-1440399-A Coumarin derivatives with COMT inhibiting activity ORION CORP (FI) 2003-09-03 CN disclosed
EP-1301503-A1 COUMARIN DERIVATIVES WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2003-04-16 EP disclosed
WO-2002002548-A1 COUMARIN DERIVATIVES WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2002-01-10 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-20040110750-A9 Coumarin derivatives with comt inhibiting activity COMT, CYP1A1, CYP2D6 ADORA3 2152/4885ADORA1 1712/4885ADORA2A 3398/4885
US-20030186975-A1 Coumarin derivatives with comt inhibiting activity COMT, CYP1A1, CYP2D6 ADORA3 2152/4885ADORA1 1712/4885ADORA2A 3398/4885

“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.