SCHEMBL3107477

SCHEMBL3107477

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK14 Q16539 2/20 0.41
HTT P42858 1/20 0.40
HSD11B1 P28845 1/20 0.40
EPHX1 P07099 1/20 0.39
TTK P33981 2/20 0.38
MAPK11 Q15759 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ROCK1 Q13464 1/20 0.38
NAMPT P43490 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL3112232 0.92 RXFP1 (0.43) RAB9AMAPK14HSD11B1TTKMAPK11
SCHEMBL3105220 0.90 RAB9A (0.46) RAB9AHSD11B1TTKRXFP1ROCK1
SCHEMBL13158446 0.87 PTGS2 (0.46) RAB9AALDH1A1MAPK14HTTMAPK11
SCHEMBL3109046 0.87 KMT2A (0.51) RAB9AALDH1A1HSD11B1RXFP1MAPT
SCHEMBL3114886 0.87 RAB9A (0.41) RAB9AALDH1A1MAPK14HSD11B1RXFP1
SCHEMBL3110448 0.87 PLK1 (0.42) RAB9AHSD11B1TTKRXFP1ROCK1
SCHEMBL3110326 0.87 ALDH1A1 (0.48) RAB9AALDH1A1HTTROCK1NAMPT
SCHEMBL3110919 0.86 MAPK14 (0.45) MAPK14HSD11B1TTKMAPK11RXFP1
SCHEMBL3107213 0.86 CHRNA10 (0.42) RAB9AMAPK14HSD11B1TTKMAPK11
SCHEMBL3117669 0.86 HSD11B1 (0.46) RAB9AMAPK14HSD11B1MAPK11ROCK1

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 RAB9A 2959/4885ALDH1A1 3580/4885MAPK14 1769/4885

“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.