SCHEMBL3576444

SCHEMBL3576444

NC(=O)c1cccnc1CCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.50
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
DAO P14920 1/20 0.45
ROCK2 O75116 2/20 0.44
RPS6KB1 P23443 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CNR1 P21554 1/20 0.43
ROCK1 Q13464 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
KCNN4 O15554 2/20 0.42
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
EPHX1 P07099 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL3573175 0.82 NR3C2 (0.57) GPR52RPS6KB1AURKAAURKBEPHX1
SCHEMBL3577616 0.81 DAO (0.48) GPR52KDM5AKDM4CKDM5BDAO
SCHEMBL2750007 0.79 KDM5A (0.54) GPR52KDM5AKDM4CKDM5BDAO
SCHEMBL30450461 0.78 PPARA (0.46)
SCHEMBL2129712 0.77 KDM4E (0.57) RPS6KB1SIRT2NR3C2
SCHEMBL28333003 0.76 MAPT (0.41) GPR52ROCK2RPS6KB1AURKAAURKB
SCHEMBL5518570 0.76 RAB9A (0.56) GPR52ROCK2RPS6KB1
SCHEMBL6174664 0.76 KCNA5 (0.49) GPR52ROCK2RPS6KB1
SCHEMBL30487710 0.74 CHRM2 (0.52) DAOROCK2CHRM2CHRM1CHRM3
SCHEMBL5724443 0.74 CHRM2 (0.52) DAOROCK2CHRM2CHRM1CHRM3

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC GPR52 431/4885KDM5A 1575/4885KDM4C 2531/4885

“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.