SCHEMBL6080375

SCHEMBL6080375

CCCCCC#Cc1cc(OC)c2nc(C(=O)O)c(C)c(O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
GPR35 Q9HC97 1/20 0.34
FASN P49327 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6080942 0.81 HAO1 (0.39) GPR35KDM4E
SCHEMBL6600048 0.81 GPR35 (0.41) CTSLCTSBFFAR1FFAR4MMP2
SCHEMBL6079763 0.80 PPARA (0.49)
SCHEMBL6081017 0.77 GPR35 (0.39) GPR35FASNKDM4E
SCHEMBL6079717 0.76 CTSL (0.40) CTSLCTSBFFAR1FFAR4MMP2
SCHEMBL6080302 0.76 GPR35 (0.44) GPR35FASNKDM4E
SCHEMBL6080307 0.74 GPR35 (0.43) GPR35FASNKDM4E
SCHEMBL6081157 0.74 GPR35 (0.43) GPR35FASNKDM4E
SCHEMBL6080176 0.74 GPR35 (0.43) GPR35
SCHEMBL6080872 0.72 GPR35 (0.41) GPR35KDM4E

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 CTSL 3040/4885CTSB 1336/4885FFAR1 4189/4885

“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.