SCHEMBL13158347

SCHEMBL13158347

Cc1c(C(=O)NC2CC2)nnn1-c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.64
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 6/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALPI P09923 1/20 0.49
▸ RIPK1 Q13546 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.46
▸ MET P08581 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ PKM P14618 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
SCHEMBL13158414 0.90 TP53 (0.58) TP53ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL13158360 0.89 TP53 (0.55) TP53ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL13158358 0.89 TP53 (0.55) TP53LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL13158359 0.88 KMT2A (0.56) TP53ALDH1A1LMNAKDM4EMAPT
SCHEMBL13158458 0.86 PTGS2 (0.52) TP53MAPTKMT2ARIPK1SMN1; SMN2
SCHEMBL13158422 0.85 TP53 (0.52) TP53ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL13158384 0.85 TP53 (0.52) TP53ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL3117396 0.85 ROCK1 (0.54) TP53ALDH1A1LMNAMAPTKMT2A
SCHEMBL13158410 0.84 TP53 (0.51) TP53ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL13158351 0.84 TP53 (0.51) TP53ALDH1A1LMNAKDM4EL3MBTL1

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 2716/4885ALDH1A1 3580/4885LMNA 2020/4885

“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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