SCHEMBL2764626

SCHEMBL2764626

Oc1cc(-c2ccc(C(F)(F)F)cc2)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.55
SLC6A2 P23975 1/20 0.45
P2RY14 Q15391 1/20 0.45
PTPN1 P18031 1/20 0.43
NQO2 P16083 1/20 0.41
ERAP1 Q9NZ08 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL29190680 0.87 RXRA (0.47) KIF11PTPN1
SCHEMBL3998103 0.85 KIF11 (0.55) KIF11SLC6A2P2RY14PTPN1NQO2
SCHEMBL1928764 0.84 MEN1 (0.44) KIF11PTPN1NQO2MAPTXBP1
SCHEMBL2471986 0.81 APP (0.55)
SCHEMBL3897640 0.77 CYP3A4 (0.65) KIF11SLC6A2P2RY14
SCHEMBL1026054 0.75 ALOX5 (0.64) MAPT
SCHEMBL4829745 0.74 KIF11 (0.57) KIF11SLC6A2P2RY14
SCHEMBL197238 0.73 KIF11 (0.78) KIF11
SCHEMBL29914837 0.73 KIF11 (0.78) KIF11
SCHEMBL13410633 0.73 KIF11 (0.78) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-08-05 US disclosed
US-20100152208-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-06-17 US disclosed
EP-2178884-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-04-28 EP disclosed
EP-2152719-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-02-17 EP disclosed
WO-2009012573-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-01-29 WO disclosed
WO-2008141455-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-11-27 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 (2 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-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A KIF11 4815/4885SLC6A2 4504/4885P2RY14 4679/4885
US-20100152208-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A KIF11 4744/4885SLC6A2 4382/4885P2RY14 4800/4885

“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.