SCHEMBL3820469

SCHEMBL3820469

CCOC(=O)c1nc(C)oc1CNC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TARBP2 Q15633 1/20 0.43
MAPK1 P28482 1/20 0.43
PLAU P00749 1/20 0.42

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
SCHEMBL21987950 0.90 MAPT (0.51) L3MBTL1MAPTLMNASMN1; SMN2MEN1
SCHEMBL3822744 0.81 LMNA (0.48) L3MBTL1MAPTLMNASMN1; SMN2ATM
SCHEMBL21633575 0.81 MAPT (0.48) L3MBTL1MAPTLMNASMN1; SMN2MEN1
SCHEMBL11739215 0.79 ALDH1A1 (0.50) L3MBTL1MAPTLMNASMN1; SMN2MEN1
SCHEMBL22336082 0.78 LTA4H (0.45) L3MBTL1MAPTLMNASMN1; SMN2MEN1
SCHEMBL3821702 0.78 SMN1; SMN2 (0.48) L3MBTL1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL3825080 0.77 RAB9A (0.47) L3MBTL1MAPTLMNASMN1; SMN2MEN1
SCHEMBL3822471 0.77 NPSR1 (0.38) L3MBTL1MAPTLMNAMEN1KMT2A
SCHEMBL21633613 0.76 MAPT (0.48) L3MBTL1MAPTLMNASMN1; SMN2MEN1
SCHEMBL7443335 0.76 MAPT (0.53) L3MBTL1MAPTLMNASMN1; SMN2ATM

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 L3MBTL1 3944/4885MAPT 2112/4885LMNA 2209/4885

“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.