SCHEMBL6883193

SCHEMBL6883193

COc1ccc(-c2nc(-c3cc(C(=O)O)c(C)n3Cc3ccc(Cl)c(C(F)(F)F)c3)cs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 16/20 0.56
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRK1 P41145 1/20 0.42
KLKB1 P03952 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 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
SCHEMBL6884109 0.90 EIF4E (0.57) EIF4ENPC1RAB9AKDM4EALDH1A1
SCHEMBL5045711 0.89 KDM4E (0.55) EIF4ENPC1RAB9AKDM4EALDH1A1
SCHEMBL6871859 0.88 EIF4E (0.49) EIF4ENPC1RAB9AKDM4EALDH1A1
SCHEMBL5047152 0.87 KLKB1 (0.45) EIF4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6471994 0.87 KDM4E (0.51) EIF4ENPC1RAB9AKDM4EALDH1A1
SCHEMBL6879060 0.85 KDM4E (0.53) EIF4ENPC1RAB9AKDM4EALDH1A1
SCHEMBL6881059 0.85 EIF4E (0.50) EIF4ENPC1RAB9AKDM4EALDH1A1
SCHEMBL6883231 0.85 KDM4E (0.50) EIF4ENPC1RAB9AKDM4EALDH1A1
SCHEMBL6471628 0.85 KDM4E (0.50) EIF4ENPC1RAB9AKDM4EALDH1A1
SCHEMBL6472401 0.84 KDM4E (0.49) EIF4ENPC1RAB9AKDM4EALDH1A1

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-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R EIF4E 2174/4885NPC1 500/4885RAB9A 1009/4885

“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.