SCHEMBL6079960

SCHEMBL6079960

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.38
IGFBP3 P17936 6/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 1/20 0.37
IGFBP5 P24593 5/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IGFBP1 P08833 1/20 0.33
IGFBP2 P18065 1/20 0.33
IGFBP4 P22692 1/20 0.33
IGFBP6 P24592 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
SCHEMBL6592548 0.87 IGFBP3 (0.40) GPR35IGFBP3ALOX15TSHRHIF1A
Hydrochloric Acid SCHEMBL6079789 0.85 IGFBP3 (0.40) GPR35IGFBP3ALOX15TSHRHIF1A
SCHEMBL6080512 0.84 GPR35 (0.43) GPR35IGFBP3ALOX15TSHRHIF1A
SCHEMBL6598349 0.84 GPR35 (0.39) GPR35IGFBP3ALOX15TSHRHIF1A
SCHEMBL6080671 0.84 GPR35 (0.43) GPR35IGFBP3ALOX15TSHRHIF1A
SCHEMBL6080256 0.81 NQO2 (0.45) KDM4EMAPT
SCHEMBL6080504 0.80 XDH (0.34) GPR35IGFBP3ALOX15TSHRHIF1A
SCHEMBL6080738 0.80 MCL1 (0.43) IGFBP3ALOX15KDM4EKMT2AIGFBP5
SCHEMBL6080058 0.79 KDM4E (0.46) IGFBP3ALOX15TSHRKDM4EKMT2A
SCHEMBL6080727 0.77 IGFBP5 (0.36) 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 1071/4885IGFBP3 4812/4885ALOX15 2210/4885

“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.