SCHEMBL3826604

SCHEMBL3826604

COCc1nc(C)c(C(N)=O)o1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
NNMT P40261 1/20 0.33
CDK8 P49336 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
GRM5 P41594 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 2/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DDR1 Q08345 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL20577192 0.80 POLB (0.34) ALDH1A1KDM4EPOLBHTT
SCHEMBL29637752 0.80 DDR1 (0.40) ALDH1A1KDM4EPOLBKMT2ADDR1
Hydrochloric Acid SCHEMBL3822769 0.79 POLB (0.33) POLBHTT
Hydrochloric Acid SCHEMBL3820275 0.79 POLB (0.33) POLBHTT
Hydrochloric Acid SCHEMBL5008312 0.79 DDR1 (0.39) POLBDDR1HTT
SCHEMBL3829707 0.77 MAPK1 (0.35) TP53ALDH1A1KDM4EMAPTKMT2A
SCHEMBL3825879 0.77 MAPT (0.46) LMNAGRM5ALDH1A1MAPTPOLB
SCHEMBL3822439 0.76 ALOX5 (0.43) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL3825208 0.75 KDM4E (0.33) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL3827099 0.74 MAPT (0.38) LMNAALDH1A1KDM4EMAPTPOLB

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 claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
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

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 2209/4885TP53 1424/4885NNMT 535/4885

“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.