SCHEMBL12846981

SCHEMBL12846981

COC(=O)c1cc(Cc2ccc(F)cc2)ccc1N

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.82
KDM4E B2RXH2 4/20 0.82
HPGD P15428 4/20 0.82
MAPT P10636 4/20 0.82
HSD17B10 Q99714 3/20 0.82
GAA P10253 2/20 0.82
ALOX15 P16050 1/20 0.82
TSHR P16473 1/20 0.82
CDC25B P30305 1/20 0.53
CASP6 P55212 1/20 0.53
RCE1 Q9Y256 1/20 0.53
CFTR P13569 3/20 0.46
IKBKB O14920 1/20 0.45
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
KEAP1 Q14145 1/20 0.42

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
SCHEMBL1809277 0.91 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL30041521 0.91 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL4604088 0.87 ALDH1A1 (0.85) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL165608 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL221403 0.81 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL29481401 0.80 KDM4E (0.55) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL1015993 0.80 KDM4E (0.55) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL14081421 0.80 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL29543806 0.79 KDM4E (0.54) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL26466965 0.78 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 ALDH1A1 833/4885KDM4E 3477/4885HPGD 777/4885

“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.