SCHEMBL13158348

SCHEMBL13158348

CCC(=O)Nc1ccc(-n2nnc(C(=O)NC3CC3)c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PTGS2 P35354 3/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ ALOX12 P18054 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALPI P09923 1/20 0.43
▸ SMURF1 Q9HCE7 2/20 0.43
▸ RIPK1 Q13546 1/20 0.42
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL13158352 0.91 TP53 (0.48) TP53SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13158401 0.90 TP53 (0.49) TP53SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13158384 0.90 TP53 (0.52) TP53SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13158370 0.89 TP53 (0.47) TP53SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13158402 0.89 TP53 (0.46) TP53KDM4EALDH1A1LMNAGAA
SCHEMBL13158395 0.88 TP53 (0.47) TP53SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13158386 0.88 TP53 (0.50) TP53SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13158389 0.88 TP53 (0.47) TP53KDM4EALDH1A1LMNAGAA
SCHEMBL13158390 0.88 TP53 (0.47) TP53SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL13158351 0.88 TP53 (0.51) TP53SMN1; SMN2KDM4EALDH1A1LMNA

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 4399/4885KDM4E 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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