SCHEMBL3821702

SCHEMBL3821702

CCOC(=O)c1oc(CNC(=O)OCc2ccccc2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PLAU P00749 1/20 0.43
NAMPT P43490 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
SCHEMBL3822762 0.81 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1KMT2AHSD17B10
SCHEMBL3823043 0.80 MAPT (0.48) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL1461731 0.80 ATM (0.49) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL3820469 0.78 L3MBTL1 (0.49) SMN1; SMN2KMT2AHSD17B10MAPTL3MBTL1
SCHEMBL1461721 0.78 ATM (0.47) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL21633613 0.77 MAPT (0.48) SMN1; SMN2RAB9ANPC1KMT2AHSD17B10
SCHEMBL15229027 0.77 L3MBTL1 (0.44) RAB9ANPC1KMT2AHSD17B10MAPT
SCHEMBL15229042 0.76 L3MBTL1 (0.50) SMN1; SMN2RAB9ANPC1KMT2AHSD17B10
SCHEMBL13933317 0.76 RAB9A (0.50) SMN1; SMN2RAB9ANPC1KMT2AHSD17B10
SCHEMBL21345459 0.76 MAPT (0.54) SMN1; SMN2RAB9ANPC1KMT2AHSD17B10

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 SMN1; SMN2 4002/4885RAB9A 4343/4885NPC1 2552/4885

“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.