SCHEMBL10102660

SCHEMBL10102660

OCCCc1cc2cc(OC(F)(F)F)ccc2nc1-c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
GPBAR1 Q8TDU6 12/20 0.41
GRM1 Q13255 1/20 0.39
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
CHRM5 P08912 1/20 0.36
RUNX1 Q01196 1/20 0.35

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
SCHEMBL10102632 0.84 DHFR (0.41) RUNX1
SCHEMBL10102644 0.84 GPBAR1 (0.42) GPBAR1GRM1PDGFRBPDGFRA
SCHEMBL10102661 0.82 GPBAR1 (0.41) GPBAR1GRM1PDGFRBPDGFRA
SCHEMBL10102638 0.79 GPBAR1 (0.42) GPBAR1GRM1
SCHEMBL13005241 0.69 GPBAR1 (0.40) GPBAR1GRM1
SCHEMBL4739218 0.68 GPBAR1 (0.79) GPBAR1
SCHEMBL3383001 0.67 DHODH (0.45)
SCHEMBL4872923 0.66 GPBAR1 (0.71) GPBAR1PDGFRBPDGFRA
SCHEMBL13005263 0.66 DHFR (0.40)
SCHEMBL10107977 0.65 NPBWR1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B IDO1 4799/4885GPBAR1 2259/4885GRM1 477/4885

“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.