SCHEMBL3107213

SCHEMBL3107213

CCCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK14 Q16539 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HSD11B1 P28845 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK11 Q15759 1/20 0.40
ROCK1 Q13464 1/20 0.40
KMT2A Q03164 1/20 0.40
TTK P33981 1/20 0.39
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3114886 0.95 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MAPK14RXFP1
SCHEMBL3102917 0.94 MAPK14 (0.40) RAB9ANPC1SMN1; SMN2MAPK14RXFP1
SCHEMBL3112608 0.94 NPC1 (0.48) RAB9ANPC1SMN1; SMN2MAPK14HPGD
SCHEMBL3105220 0.93 RAB9A (0.46) RAB9ANPC1SMN1; SMN2RXFP1HSD11B1
SCHEMBL3110664 0.93 MAPK14 (0.47) RAB9ANPC1SMN1; SMN2MAPK14KMT2A
SCHEMBL3117690 0.92 MAPK14 (0.46) SMN1; SMN2MAPK14RXFP1MAPTKMT2A
SCHEMBL3110448 0.90 PLK1 (0.42) RAB9ARXFP1HSD11B1MAPTROCK1
SCHEMBL3109046 0.90 KMT2A (0.51) RAB9ANPC1SMN1; SMN2RXFP1HSD11B1
SCHEMBL3107080 0.90 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL3110919 0.90 MAPK14 (0.45) MAPK14RXFP1HSD11B1MAPK11KMT2A

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 CHRNA10 1085/4885CHRNA9 707/4885RAB9A 2959/4885

“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.