SCHEMBL3116282

SCHEMBL3116282

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2OCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 1/20 0.39

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
SCHEMBL3102920 0.87 POLB (0.49) POLBALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL3114886 0.86 RAB9A (0.41) RXFP1ALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL3107658 0.86 MAPT (0.41) RXFP1ALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL3105762 0.86 PTGS2 (0.46) ALDH1A1TP53CYP1A2CYP2C19CYP2D6
SCHEMBL3116893 0.85 SMYD3 (0.40) RXFP1ALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL3103943 0.85 CYP1A2 (0.41) RXFP1ALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL3115726 0.85 CYP1A2 (0.42) RXFP1ALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL3112482 0.85 RAB9A (0.40) RXFP1ALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL3105754 0.85 RAB9A (0.41) ALDH1A1TP53CYP1A2CYP2C19CYP2D6
SCHEMBL3107329 0.84 MAPK14 (0.39) RXFP1ALDH1A1CYP1A2CYP2C19CYP2D6

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 8 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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
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
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 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
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 RXFP1 77/4885POLB 3558/4885ALDH1A1 3580/4885

“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.