SCHEMBL2688091

SCHEMBL2688091

CCOC(=O)c1c(-c2ccccn2)nnn1C[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
METAP1 P53582 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CASP1 P29466 2/20 0.41
POLB P06746 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
SLC11A2 P49281 1/20 0.40
MAPT P10636 2/20 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
SCHEMBL2688524 0.82 TSHR (0.41) LMNANPC1RAB9AKDM4EHSD17B10
SCHEMBL23856156 0.77 MAOB (0.39) LMNAALDH1A1MAPTCYP19A1USP2
SCHEMBL2683467 0.76 ALDH1A1 (0.46) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL16700699 0.76 CYP19A1 (0.49) NPC1RAB9AMEN1KMT2ACA1
SCHEMBL2687427 0.74 LRRK2 (0.37) LMNANPC1RAB9ACA1CA2
SCHEMBL16701090 0.71 ALOX5 (0.45) POLBALDH1A1CYP19A1USP2
SCHEMBL18992394 0.71 LMNA (0.53) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL27862967 0.71 TSHR (0.57) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL30071543 0.71 TSHR (0.57) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL16678545 0.71 KDM4E (0.67) LMNANPC1RAB9AMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 US 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-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I GABRA5, GABRA3, GABRA1 LMNA 4204/4885NPC1 1073/4885RAB9A 1558/4885

“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.