SCHEMBL6080671

SCHEMBL6080671

Nc1cc(Cl)cc2c(O)cc(C(=O)O)nc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.43
CYP3A4 P08684 1/20 0.41
IGFBP3 P17936 6/20 0.36
IGFBP5 P24593 1/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6079960 0.84 GPR35 (0.38) GPR35IGFBP3IGFBP5ALOX15TSHR
SCHEMBL6592548 0.84 IGFBP3 (0.40) GPR35CYP3A4IGFBP3IGFBP5ALOX15
Hydrochloric Acid SCHEMBL6079789 0.83 IGFBP3 (0.40) GPR35CYP3A4IGFBP3IGFBP5ALOX15
SCHEMBL2901884 0.83 GPR35 (0.44) GPR35IGFBP3IGFBP5ALOX15TSHR
SCHEMBL6080021 0.82 NQO2 (0.49) KDM4EMAPTRAB9AALDH1A1HPGD
SCHEMBL6080512 0.81 GPR35 (0.43) GPR35IGFBP3IGFBP5ALOX15TSHR
SCHEMBL6598349 0.81 GPR35 (0.39) GPR35IGFBP3IGFBP5ALOX15TSHR
SCHEMBL6080738 0.78 MCL1 (0.43) IGFBP3IGFBP5ALOX15KDM4EKMT2A
SCHEMBL6080504 0.78 XDH (0.34) GPR35IGFBP3IGFBP5ALOX15TSHR
SCHEMBL6080200 0.77 GPR35 (0.42) GPR35IGFBP3ALOX15TSHRHIF1A

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 4 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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 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 (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 GPR35 1071/4885CYP3A4 148/4885IGFBP3 4812/4885

“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.