SCHEMBL3105220

SCHEMBL3105220

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.44
RXFP1 Q9HBX9 1/20 0.42
HSD11B1 P28845 1/20 0.42
ROCK1 Q13464 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42
TTK P33981 2/20 0.41
RIPK1 Q13546 1/20 0.41

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
SCHEMBL3109046 0.97 KMT2A (0.51) RAB9AMAPTKMT2AHPGDRXFP1
SCHEMBL3114886 0.94 RAB9A (0.41) RAB9AMAPTKMT2AHPGDRXFP1
SCHEMBL3110448 0.94 PLK1 (0.42) RAB9AMAPTKMT2AHPGDRXFP1
SCHEMBL3107213 0.93 CHRNA10 (0.42) RAB9AMAPTKMT2AHPGDRXFP1
SCHEMBL3117669 0.93 HSD11B1 (0.46) RAB9AMAPTKMT2AHPGDHSD11B1
SCHEMBL3108824 0.92 ATM (0.41) RAB9AMAPTKMT2AHPGDRXFP1
SCHEMBL3102917 0.92 MAPK14 (0.40) RAB9AMAPTKMT2ARXFP1HSD11B1
SCHEMBL3112608 0.92 NPC1 (0.48) RAB9AHPGDNPC1SMN1; SMN2
SCHEMBL3115601 0.92 RXFP1 (0.39) RAB9AMAPTKMT2AHPGDRXFP1
SCHEMBL3112232 0.92 RXFP1 (0.43) RAB9AMAPTKMT2AHPGDRXFP1

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 2959/4885MAPT 4724/4885KMT2A 2286/4885

“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.