SCHEMBL6080176

SCHEMBL6080176

COc1cc(Br)cc2c(O)c(C)c(C(=O)O)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.43
RNASEH1 O60930 1/20 0.41
PIM1 P11309 1/20 0.41
NQO2 P16083 2/20 0.40
ERN1 O75460 3/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
PKM P14618 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DHODH Q02127 2/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL6080302 0.86 GPR35 (0.44) GPR35RNASEH1PIM1ERN1CA12
SCHEMBL6081157 0.84 GPR35 (0.43) GPR35RNASEH1PIM1CA12CA1
SCHEMBL6080307 0.84 GPR35 (0.43) GPR35RNASEH1PIM1CA12CA1
SCHEMBL6080119 0.83 DHODH (0.39) GPR35DHODHALDH1A1PRNPMAPT
SCHEMBL6080872 0.82 GPR35 (0.41) GPR35PIM1ERN1CA12CA1
SCHEMBL6080513 0.81 PTGER1 (0.50) PIM1MAPT
SCHEMBL6079736 0.81 DHODH (0.38) GPR35DHODHALDH1A1PRNPMAPT
SCHEMBL6081306 0.81 PDE10A (0.45) GPR35ERN1DHODHALOX15ALDH1A1
SCHEMBL6081017 0.80 GPR35 (0.39) GPR35RNASEH1CA12CA1CA2
SCHEMBL6080394 0.80 PIM1 (0.42) GPR35PIM1PKMHSD17B10PTGS2

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 GPR35 1071/4885RNASEH1 2268/4885PIM1 3960/4885

“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.