SCHEMBL3112504

SCHEMBL3112504

NC(Cc1ccccc1)C(=O)N(C(=O)c1nnn(-c2ccc(C(=O)NCC(F)(F)F)cc2)c1CCCCCF)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.35
▸ MLYCD O95822 2/20 0.32
▸ DDR1 Q08345 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ DDR2 Q16832 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ MAP3K20 Q9NYL2 1/20 0.31
▸ MAP3K2 Q9Y2U5 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ FOLH1 Q04609 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ GRIA2 P42262 1/20 0.30
▸ OPRD1 P41143 1/20 0.30

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
SCHEMBL3104196 0.84 NAMPT (0.38) MLYCDACACB
SCHEMBL3100824 0.84 ROCK1 (0.31) MLYCD
SCHEMBL3115883 0.79 FOLH1 (0.39) MLYCDFOLH1
SCHEMBL3115879 0.79 FOLH1 (0.39) MLYCDFOLH1
SCHEMBL3111865 0.79 ROCK2 (0.41) MLYCDACACB
SCHEMBL3110182 0.79 ROCK2 (0.41) MLYCDACACB
SCHEMBL3108947 0.78 HPGD (0.35) LMNAMAPTHTTNPSR1CYP2C9
SCHEMBL5249707 0.78 RAB9A (0.39) MLYCD
SCHEMBL5245660 0.77 MLYCD (0.50) MLYCD
SCHEMBL3106894 0.77 CNR1 (0.44) LMNAMAPT

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 REN 819/4885MLYCD 4763/4885DDR1 600/4885

“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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