SCHEMBL3115602

SCHEMBL3115602

CCCc1c(C(=O)NC2CC2)nnn1-c1ccc(NC(=O)CC(=O)OCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL3117945 0.89 ROCK1 (0.48) ROCK1RXFP1POLBALDH1A1TP53
SCHEMBL13158370 0.89 TP53 (0.47) TSHRRXFP1ALDH1A1TP53ALOX12
SCHEMBL3107465 0.88 ROCK1 (0.47) ROCK1RXFP1POLBALDH1A1TP53
SCHEMBL3112465 0.88 ROCK1 (0.46) ROCK1TSHRRXFP1POLBALDH1A1
SCHEMBL3111198 0.88 ROCK1 (0.49) ROCK1RXFP1POLBALDH1A1TP53
SCHEMBL3113422 0.87 ROCK1 (0.47) ROCK1RXFP1POLBALDH1A1MAPK1
SCHEMBL3105282 0.87 ROCK1 (0.47) ROCK1RXFP1POLBALDH1A1TP53
SCHEMBL3108746 0.87 ROCK1 (0.46) ROCK1RXFP1POLBALDH1A1TP53
SCHEMBL3099742 0.85 ROCK1 (0.48) ROCK1RXFP1POLBALDH1A1TP53
SCHEMBL3100915 0.85 ROCK1 (0.45) ROCK1RXFP1POLBALDH1A1LMNA

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 3 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
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP 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 ROCK1 1430/4885TSHR 53/4885RXFP1 77/4885

“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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