SCHEMBL13158386

SCHEMBL13158386

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.50
▸ MAPT P10636 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PTGS2 P35354 3/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ RIPK1 Q13546 1/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ SMURF1 Q9HCE7 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A1 P04798 1/20 0.40

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
SCHEMBL13158384 0.92 TP53 (0.52) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL13158352 0.91 TP53 (0.48) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL13158361 0.89 TP53 (0.47) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL13158348 0.88 TP53 (0.50) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL13158362 0.88 TP53 (0.46) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL13158401 0.87 TP53 (0.49) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL13158378 0.86 TP53 (0.43) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL3107068 0.86 ROCK1 (0.47) TP53MAPTGLAKDM4EALDH1A1
SCHEMBL13158389 0.85 TP53 (0.47) TP53MAPTKDM4EALDH1A1LMNA
SCHEMBL13158395 0.85 TP53 (0.47) TP53MAPTKDM4EALDH1A1LMNA

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 2716/4885MAPT 4724/4885GLA 3658/4885

“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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