SCHEMBL1889692

SCHEMBL1889692

Cc1sc(NC(=O)CCC(C)n2nc(C(F)(F)F)c3c2CCCC3)c(C(N)=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIP O00170 1/20 0.46
SGTA O43765 1/20 0.46
TOMM70 O94826 1/20 0.46
STIP1 P31948 1/20 0.46
PPP5C P53041 1/20 0.46
FKBP4 Q02790 1/20 0.46
PPID Q08752 1/20 0.46
FKBP5 Q13451 1/20 0.46
FKBP8 Q14318 1/20 0.46
TOMM34 Q15785 1/20 0.46
DNAJC7 Q99615 1/20 0.46
AIPL1 Q9NZN9 1/20 0.46
STUB1 Q9UNE7 1/20 0.46
GRM1 Q13255 12/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1006092 0.82 ALDH1A1 (0.54) AIPSGTATOMM70STIP1PPP5C
SCHEMBL3453384 0.82 LMNA (0.64) GRM1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL1009791 0.82 AIP (0.52) AIPSGTATOMM70STIP1PPP5C
SCHEMBL1008434 0.79 LMNA (0.46) GRM1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3452222 0.73 GRM1 (0.54) GRM1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL1008097 0.73 LMNA (0.43) GRM1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3452732 0.73 SMN1; SMN2 (0.73) GRM1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL1007833 0.72 GRIN2C (0.46) GRM1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL1006991 0.72 MAPT (0.44) GRM1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL13108879 0.71 GRM1 (0.68) GRM1ALDH1A1HPGDLMNASMN1; SMN2

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 AIP 1031/4885SGTA 1355/4885TOMM70 2444/4885

“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.