SCHEMBL6079346

SCHEMBL6079346

Cc1c(C(=O)O)nc2c(O)cc(-c3ccc(Cl)cc3)cc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTRC Q99895 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MCL1 Q07820 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDH1 P12830 1/20 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
SCHEMBL6080393 0.88 KMO (0.47) DHODHAKR1C2AKR1C1
SCHEMBL6080593 0.85 PRKAG1 (0.48) DHODHMCL1KDM4ENPC1POLB
SCHEMBL6081551 0.81 AKR1C2 (0.46) DHODHAKR1C2AKR1C1EGLN1
SCHEMBL6080323 0.79 MCL1 (0.47) DHODHCYP2C9CYP2C19MCL1SMN1; SMN2
SCHEMBL6080914 0.79 L3MBTL1 (0.52) DHODHKDM4ENPC1RAB9A
SCHEMBL6079979 0.76 MCL1 (0.50) DHODHCYP2C9CYP1A2CYP3A4CYP2C8
SCHEMBL6080431 0.75 DHODH (0.40) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6080119 0.75 DHODH (0.39) DHODHAKR1C2AKR1C1KDM4ENPC1
SCHEMBL6080863 0.74 PRKAG1 (0.47) DHODHMCL1KDM4ENPC1POLB
SCHEMBL6081306 0.73 PDE10A (0.45) DHODHKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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 (1 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL DHODH 188/4885CYP2C9 199/4885CYP1A2 117/4885

“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.