SCHEMBL3820264

SCHEMBL3820264

CCOC(=O)c1snnc1-c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
TP53 P04637 2/20 0.52
MEN1 O00255 1/20 0.52
CASP3 P42574 1/20 0.52
KMT2A Q03164 1/20 0.52
SENP8 Q96LD8 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
DHODH Q02127 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TARBP2 Q15633 2/20 0.49
PDCD4 Q53EL6 1/20 0.49

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
SCHEMBL11770169 0.87 ALDH1A1 (0.49) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL14709949 0.86 MAPT (0.52) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL6816550 0.86 ALDH1A1 (0.59) POLBGAAKDM4EALDH1A1RAB9A
SCHEMBL11767665 0.81 PKM (0.41) POLBGAAKDM4EALDH1A1RAB9A
SCHEMBL3821232 0.80 IKBKB (0.49) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL14710308 0.79 CFTR (0.41) POLBGAAKDM4EALDH1A1RAB9A
SCHEMBL6815952 0.78 PPARG (0.43) POLBGAAKDM4EALDH1A1RAB9A
SCHEMBL14709950 0.78 OPRM1 (0.44) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL4786383 0.78 DHODH (0.62) POLBGAAKDM4EALDH1A1RAB9A
SCHEMBL11769421 0.77 JAK2 (0.49) GAAKDM4EALDH1A1RAB9ANPC1

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 POLB 2667/4885GAA 81/4885KDM4E 1955/4885

“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.