SCHEMBL3119917

SCHEMBL3119917

CSCCc1c(C(N)=O)nnn1-c1ccc(C(=O)NCC(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CA2 P00918 5/20 0.34
CA1 P00915 4/20 0.34
CA4 P22748 3/20 0.34
CA9 Q16790 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 4/20 0.33
CCR1 P32246 1/20 0.33

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
SCHEMBL3099605 0.88 CYP1A2 (0.40) L3MBTL1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL3115763 0.86 CYP2C9 (0.37) L3MBTL1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL3111239 0.86 HPGD (0.39) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3112382 0.86 MAPK14 (0.36) L3MBTL1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL3112845 0.85 MAPK14 (0.35) L3MBTL1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL3111790 0.84 MAPK14 (0.35) L3MBTL1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL3115561 0.83 L3MBTL1 (0.37) L3MBTL1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL3109201 0.81 CCR1 (0.46) TP53CCR1
SCHEMBL3114826 0.79 ROCK1 (0.40) L3MBTL1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL3110408 0.78 MLYCD (0.37) NPC1RAB9ASMN1; SMN2HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 L3MBTL1 1781/4885MAPK14 1769/4885NPC1 2145/4885

“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.