SCHEMBL3099684

SCHEMBL3099684

O=C(NC1CC1)c1ccc(-n2nnc(C(=O)NC3CC3)c2CCCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 2/20 0.42
SMYD3 Q9H7B4 4/20 0.41
MAPK14 Q16539 2/20 0.41
HPGD P15428 2/20 0.40
TTK P33981 3/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK11 Q15759 1/20 0.39
TSHR P16473 2/20 0.38
RIPK1 Q13546 1/20 0.38
SLC6A5 Q9Y345 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
SCHEMBL3103874 0.92 MAPK14 (0.41) RAB9AMAPTKMT2AMAPK14HPGD
SCHEMBL3105184 0.91 SMYD3 (0.38) RAB9AMAPTSMYD3MAPK14HPGD
SCHEMBL3117853 0.91 MAPK14 (0.41) RAB9AMAPTKMT2ASMYD3MAPK14
SCHEMBL3112589 0.90 RAB9A (0.44) RAB9AMAPTKMT2ASMYD3MAPK14
SCHEMBL3105220 0.87 RAB9A (0.46) RAB9AMAPTKMT2ASMYD3HPGD
SCHEMBL3110887 0.85 MAPT (0.39) RAB9AMAPTKMT2AMAPK14HPGD
SCHEMBL3109046 0.84 KMT2A (0.51) RAB9AMAPTKMT2AHPGDNPC1
SCHEMBL3120346 0.84 RAB9A (0.39) RAB9AMAPTKMT2ASMYD3MAPK14
SCHEMBL3102917 0.84 MAPK14 (0.40) RAB9AMAPTKMT2AMAPK14NPC1
SCHEMBL3112521 0.84 RAB9A (0.41) RAB9AMAPTMAPK14HPGDNPC1

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.