SCHEMBL6490666

SCHEMBL6490666

O=C(O)c1cc2c([N+](=O)[O-])c(O)c(O)cc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 13/20 0.51
MAOA P21397 3/20 0.49
MAOB P27338 2/20 0.49
COMT P21964 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CDK2 P24941 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
TSHR P16473 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL6479325 0.85 ALDH1A1 (0.49) GPR35MAOAMAOBKDM4EALDH1A1
SCHEMBL6479173 0.80 AKR1B1 (0.47) GPR35COMTKDM4EALDH1A1GLA
SCHEMBL6578678 0.79 MAOA (0.57) GPR35MAOAMAOBKDM4EALDH1A1
SCHEMBL6490859 0.78 GPR35 (0.76) GPR35MAOAMAOBCOMTALDH1A1
SCHEMBL11509771 0.77 MAOB (0.54) GPR35MAOAMAOBKDM4EALDH1A1
SCHEMBL6109204 0.73 GPR35 (0.58) GPR35MAOAMAOBALDH1A1HPGD
SCHEMBL1406738 0.73 MCL1 (0.53) GPR35MAOAMAOBALDH1A1HPGD
SCHEMBL27825688 0.72 CDK2 (0.51) GPR35COMTKDM4EALDH1A1HPGD
SCHEMBL31113776 0.72 GPR35 (0.50) GPR35MAOAMAOBKDM4EALDH1A1
SCHEMBL11509776 0.70 GPR35 (0.66) GPR35MAOAMAOBALDH1A1HPGD

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 13 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-6846919-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-01-25 US 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-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof BEHAN DOMINIC P (US) 2003-12-04 US 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
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-6541209-B1 Bioassay; identification of compounds as agonists; use in treatment of diseases and disorders that are related to 5-HT2A and or 5-HT2C serotonin receptors ARENA PHARMACEUTICALS, INC. 2003-04-01 US disclosed
US-6420541-B1 MEMBRANE PROTEIN FOR USE IN TREATING PSYCHOLOGICAL, NERVOUS SYSTEM, EATING AND SEXUAL DISORDERS ARENA PHARMACEUTICALS, INC. 2002-07-16 US disclosed
US-6140509-A Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2000-10-31 US disclosed
US-6107324-A CONTROLLING SEROTONIN ARENA PHARMACEUTICALS INC. (US) 2000-08-22 US 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 (4 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 GPR35 2731/4885MAOA 53/4885MAOB 58/4885
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR6 GPR35 77/4885MAOA 78/4885MAOB 150/4885
US-20030186975-A1 Coumarin derivatives with comt inhibiting activity COMT, CYP1A1, CYP2D6 GPR35 2731/4885MAOA 53/4885MAOB 58/4885
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof HTR2A, HTR5A, HTR1A GPR35 43/4885MAOA 86/4885MAOB 199/4885

“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.