SCHEMBL13158358

SCHEMBL13158358

Cc1c(C(=O)NC2CC2)nnn1-c1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ PTGS2 P35354 2/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ MET P08581 3/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 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
SCHEMBL13158360 0.90 TP53 (0.55) TP53PTGS2KMT2AMEN1NPC1
SCHEMBL13158347 0.89 TP53 (0.64) TP53SMN1; SMN2PTGS2KMT2AMET
SCHEMBL13158359 0.88 KMT2A (0.56) TP53SMN1; SMN2KMT2AMETMEN1
SCHEMBL13158458 0.87 PTGS2 (0.52) TP53SMN1; SMN2PTGS2KMT2ANPC1
SCHEMBL3109517 0.85 ROCK1 (0.46) TP53SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL13158385 0.84 TP53 (0.50) TP53SMN1; SMN2PTGS2KMT2AMET
SCHEMBL13158422 0.84 TP53 (0.52) TP53SMN1; SMN2PTGS2KMT2AMAPT
SCHEMBL13158427 0.83 PTGS2 (0.49) TP53PTGS2NPC1RAB9AHTT
SCHEMBL13158460 0.83 RAB9A (0.53) TP53SMN1; SMN2PTGS2KMT2ANPC1
SCHEMBL13158410 0.83 TP53 (0.51) TP53SMN1; SMN2PTGS2KMT2AMET

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-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

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 TP53 2716/4885SMN1; SMN2 4399/4885PTGS2 1750/4885

“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.

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