SCHEMBL6490859

SCHEMBL6490859

O=C(O)c1cc2cc(O)c(O)c([N+](=O)[O-])c2oc1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 14/20 0.76
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.49
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43

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
SCHEMBL1406624 0.86 GPR35 (0.73) GPR35MAOAMAOBHPGDUSP2
SCHEMBL22654541 0.86 GPR35 (1.00) GPR35MAOAMAOBHPGDUSP2
SCHEMBL11509776 0.84 GPR35 (0.66) GPR35MAOAMAOBHPGDUSP2
SCHEMBL6109805 0.84 GPR35 (0.70) GPR35MAOAMAOBHPGDUSP2
SCHEMBL6488722 0.83 GPR35 (0.68) GPR35MAOAMAOBALDH1A1CA12
SCHEMBL1609267 0.81 GPR35 (0.51) GPR35COMT
SCHEMBL9587791 0.81 GPR35 (0.77) GPR35MAOAMAOBHPGDUSP2
SCHEMBL6479840 0.79 GPR35 (0.65) GPR35MAOAMAOBHPGDUSP2
SCHEMBL28568029 0.78 GPR35 (0.77) GPR35MAOAMAOBHPGDUSP2
SCHEMBL6490666 0.78 GPR35 (0.51) GPR35MAOAMAOBHPGDALDH1A1

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 GPR35 2731/4885MAOA 53/4885MAOB 58/4885
US-20030186975-A1 Coumarin derivatives with comt inhibiting activity COMT, CYP1A1, CYP2D6 GPR35 2731/4885MAOA 53/4885MAOB 58/4885

“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.