SCHEMBL3822744

SCHEMBL3822744

Cc1nc(CO)c(CNC(=O)OCc2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.44
MAPK1 P28482 1/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
PLAU P00749 1/20 0.44
TNKS O95271 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3820469 0.81 L3MBTL1 (0.49) LMNASMN1; SMN2L3MBTL1HTTATM
SCHEMBL1461721 0.74 ATM (0.47) LMNASMN1; SMN2L3MBTL1HTTATM
SCHEMBL21987950 0.74 MAPT (0.51) LMNASMN1; SMN2L3MBTL1HTTATM
SCHEMBL21633613 0.74 MAPT (0.48) LMNASMN1; SMN2L3MBTL1HTTATM
SCHEMBL1461731 0.73 ATM (0.49) LMNASMN1; SMN2L3MBTL1HTTATM
Benzyl Benzylcarbamate SCHEMBL1136818 0.73 PLAU (0.70) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL20047179 0.72 PLAU (0.66) LMNASMN1; SMN2L3MBTL1HTTKEAP1
SCHEMBL10243339 0.72 LMNA (0.71) LMNASMN1; SMN2L3MBTL1HTTKEAP1
Benzyl Benzylcarbamate SCHEMBL28413454 0.71 PLAU (0.68) LMNASMN1; SMN2HTTKEAP1NFE2L2
Benzyl Benzylcarbamate SCHEMBL9998166 0.71 PLAU (0.68) LMNASMN1; SMN2HTTKEAP1NFE2L2

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-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 LMNA 2209/4885SMN1; SMN2 4002/4885L3MBTL1 3944/4885

“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.