SCHEMBL3104989

SCHEMBL3104989

CCCc1c(C(=O)NC2CC2)nnn1-c1ccc(NC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ROCK1 Q13464 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL3113870 0.93 NPC1 (0.48) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL5243957 0.89 ROCK1 (0.46) LMNAMAPTKMT2AMEN1NPC1
SCHEMBL3109517 0.89 ROCK1 (0.46) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL3117396 0.89 ROCK1 (0.54) LMNAPOLBMAPTALDH1A1KMT2A
SCHEMBL3105220 0.86 RAB9A (0.46) MAPTKMT2ANPC1CYP1A2RAB9A
SCHEMBL3107222 0.86 ROCK1 (0.45) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL13158359 0.86 KMT2A (0.56) LMNAPOLBMAPTALDH1A1MAPK14
SCHEMBL3099742 0.85 ROCK1 (0.48) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL3113422 0.84 ROCK1 (0.47) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL3111776 0.84 NPC1 (0.44) POLBMAPTALDH1A1KMT2AMEN1

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 LMNA 2020/4885POLB 3558/4885MAPT 4724/4885

“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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