SCHEMBL1006092

SCHEMBL1006092

Cc1sc(NC(=O)CCCn2nc(C(F)(F)F)c3c2CCCC3)c(C(N)=O)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HTT P42858 1/20 0.54
AIP O00170 1/20 0.53
SGTA O43765 1/20 0.53
TOMM70 O94826 1/20 0.53
STIP1 P31948 1/20 0.53
PPP5C P53041 1/20 0.53
FKBP4 Q02790 1/20 0.53
PPID Q08752 1/20 0.53
FKBP5 Q13451 1/20 0.53
FKBP8 Q14318 1/20 0.53
TOMM34 Q15785 1/20 0.53
DNAJC7 Q99615 1/20 0.53
AIPL1 Q9NZN9 1/20 0.53
STUB1 Q9UNE7 1/20 0.53
HPGD P15428 4/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GRM1 Q13255 6/20 0.51
GAA P10253 1/20 0.47

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
SCHEMBL1009791 0.97 AIP (0.52) ALDH1A1HTTAIPSGTATOMM70
SCHEMBL3453384 0.89 LMNA (0.64) ALDH1A1HPGDLMNASMN1; SMN2GRM1
SCHEMBL1005578 0.87 GRM1 (0.66) ALDH1A1HTTHPGDLMNASMN1; SMN2
SCHEMBL1008434 0.84 LMNA (0.46) ALDH1A1HTTHPGDLMNASMN1; SMN2
SCHEMBL1889692 0.82 AIP (0.46) ALDH1A1AIPSGTATOMM70STIP1
SCHEMBL13108879 0.81 GRM1 (0.68) ALDH1A1HPGDLMNASMN1; SMN2GRM1
SCHEMBL1007833 0.80 GRIN2C (0.46) ALDH1A1HPGDLMNASMN1; SMN2GRM1
SCHEMBL3452732 0.79 SMN1; SMN2 (0.73) ALDH1A1HPGDLMNASMN1; SMN2GRM1
SCHEMBL12666730 0.78 ALDH1A1 (0.69) ALDH1A1HPGDLMNASMN1; SMN2GRM1
SCHEMBL1008389 0.78 ALDH1A1 (0.55) ALDH1A1HTTLMNASMN1; SMN2GAA

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 4 patents. 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
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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 ALDH1A1 614/4885HTT 3487/4885AIP 1031/4885

“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.