SCHEMBL3825896

SCHEMBL3825896

CCOC(=O)c1cc(NC(=O)c2cc(F)c(F)cc2C)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ACR P10323 1/20 0.37

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
SCHEMBL3822773 0.89 HPGD (0.46) NPSR1L3MBTL1POLBNPC1RAB9A
SCHEMBL3825349 0.84 HCAR2 (0.44) NPC1RAB9A
SCHEMBL13933405 0.81 ALDH1A1 (0.32) NPSR1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL28563324 0.79 SMN1; SMN2 (0.47) NPSR1L3MBTL1POLBKMT2ANPC1
SCHEMBL14587608 0.78 NPSR1 (0.50) NPSR1L3MBTL1POLBKMT2AMAPT
SCHEMBL5013522 0.77 CNR1 (0.44) L3MBTL1KMT2AKDM4EMAPTHPGD
SCHEMBL5010442 0.77 NPC1 (0.49) POLBKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13933437 0.76 ACR (0.41) NPSR1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL13369577 0.75 NPSR1 (0.52) NPSR1L3MBTL1POLBKMT2AMAPT
SCHEMBL2437732 0.75 PKM (0.57) NPSR1L3MBTL1POLBKMT2AMAPT

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 NPSR1 3657/4885L3MBTL1 3944/4885POLB 2667/4885

“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.