SCHEMBL13158390

SCHEMBL13158390

Cc1c(C(=O)NC2CC2)nnn1-c1ccc(NC(=O)CN(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.47
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PTGS2 P35354 4/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ ALPI P09923 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMURF1 Q9HCE7 2/20 0.41
▸ REV1 Q9UBZ9 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL13158348 0.88 TP53 (0.50) TP53GAAKDM4EALDH1A1LMNA
SCHEMBL13158401 0.87 TP53 (0.49) TP53GAAKDM4EALDH1A1LMNA
SCHEMBL13158384 0.87 TP53 (0.52) TP53GAAKDM4EALDH1A1LMNA
SCHEMBL13158352 0.86 TP53 (0.48) TP53GAAKDM4EALDH1A1LMNA
SCHEMBL3100915 0.86 ROCK1 (0.45) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL13158417 0.86 TP53 (0.50) TP53GAAKDM4EALDH1A1LMNA
SCHEMBL13158421 0.85 TP53 (0.47) TP53GAAKDM4EALDH1A1LMNA
SCHEMBL13158395 0.85 TP53 (0.47) TP53GAAKDM4EALDH1A1LMNA
SCHEMBL13158389 0.85 TP53 (0.47) TP53GAAKDM4EALDH1A1LMNA
SCHEMBL13158386 0.85 TP53 (0.50) TP53GAAKDM4EALDH1A1LMNA

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 2716/4885GAA 4817/4885KDM4E 3414/4885

“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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