SCHEMBL14658583

SCHEMBL14658583

CC(C)(C)[Si](C)(C)OCCc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.41
PKM P14618 2/20 0.40
RAB9A P51151 7/20 0.39
MAPT P10636 6/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
SLC2A1 P11166 1/20 0.38
CYP1A2 P05177 1/20 0.37
NPC1 O15118 7/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSPB1 P04792 1/20 0.35

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
SCHEMBL30189760 1.00 CYP2C19 (0.44) CYP2C19POLBPKMRAB9AMAPT
SCHEMBL14659688 0.87 CYP2C19 (0.47) CYP2C19POLBPKMRAB9AMAPT
SCHEMBL29481726 0.81 GABRA5 (0.44) CYP2C19POLBRAB9AMAPTKMT2A
SCHEMBL16973106 0.81 GABRA5 (0.44) CYP2C19POLBRAB9AMAPTKMT2A
SCHEMBL2367117 0.80 TSHR (0.47) POLBMAPTKMT2AALDH1A1
SCHEMBL26111592 0.80 GABRA5 (0.43) CYP2C19POLBPKMRAB9AMAPT
SCHEMBL3142482 0.78 GAA (0.57) RAB9AMAPTKMT2ALMNASMN1; SMN2
SCHEMBL3937141 0.78 MAPT (0.57) CYP2C19POLBRAB9AMAPTKMT2A
SCHEMBL13020594 0.77 CYP2C19 (0.47) CYP2C19POLBPKMRAB9AMAPT
SCHEMBL28723952 0.76 RAB9A (0.39) CYP2C19PKMRAB9AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736900-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-06-04 EP disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
WO-2013013815-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 WO disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 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-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV3 CYP2C19 817/4885POLB 4467/4885PKM 1460/4885

“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.