SCHEMBL3112232

SCHEMBL3112232

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
HSD11B1 P28845 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
TTK P33981 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ROCK1 Q13464 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
SCHEMBL3107477 0.92 RAB9A (0.42) RXFP1MAPTHSD11B1RAB9AKMT2A
SCHEMBL3105220 0.92 RAB9A (0.46) RXFP1HPGDMAPTHSD11B1SMN1; SMN2
SCHEMBL3109046 0.91 KMT2A (0.51) RXFP1HPGDMAPTHSD11B1SMN1; SMN2
SCHEMBL3114886 0.89 RAB9A (0.41) RXFP1HPGDMAPTHSD11B1SMN1; SMN2
SCHEMBL3110448 0.89 PLK1 (0.42) RXFP1HPGDMAPTHSD11B1RAB9A
SCHEMBL3110919 0.88 MAPK14 (0.45) RXFP1HPGDHSD11B1KMT2ATTK
SCHEMBL3107213 0.88 CHRNA10 (0.42) RXFP1HPGDMAPTHSD11B1SMN1; SMN2
SCHEMBL3108824 0.86 ATM (0.41) RXFP1HPGDMAPTHSD11B1SMN1; SMN2
SCHEMBL3117690 0.86 MAPK14 (0.46) RXFP1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL3102917 0.86 MAPK14 (0.40) RXFP1MAPTHSD11B1SMN1; SMN2RAB9A

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 RXFP1 77/4885HPGD 800/4885MAPT 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.