SCHEMBL13678342

SCHEMBL13678342

CC(=O)Nc1cc(C(=O)N(C)C)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
NR1I2 O75469 1/20 0.47
AHR P35869 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALPL P05186 2/20 0.43
DYRK1A Q13627 1/20 0.43
PIK3C3 Q8NEB9 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TNIK Q9UKE5 1/20 0.39
HCAR3 P49019 2/20 0.39
MME P08473 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL14235484 0.83 ALPL (0.46) RAB9ANPC1ALPLPIK3C3HCAR3
SCHEMBL28518683 0.81 HCAR3 (0.57) RAB9ANPC1NR1I2AHRSMN1; SMN2
SCHEMBL14235819 0.79 HCAR3 (0.51) ALPLHCAR3MMEHCAR2
SCHEMBL23854654 0.78 MAPK1 (0.59) RAB9ANPC1NR1I2AHRSMN1; SMN2
SCHEMBL4420465 0.77 RAB9A (0.57) RAB9ANPC1NR1I2AHRSMN1; SMN2
SCHEMBL15318182 0.73 RAB9A (0.53) RAB9ANPC1NR1I2AHRSMN1; SMN2
SCHEMBL3498417 0.73 CCNA2 (0.60) RAB9ANPC1NR1I2AHRSMN1; SMN2
SCHEMBL2629289 0.73 ALPL (0.49) RAB9ANPC1ALPLHCAR3MME
SCHEMBL15318183 0.72 RAB9A (0.51) RAB9ANPC1NR1I2AHRSMN1; SMN2
SCHEMBL15318181 0.72 RAB9A (0.51) RAB9ANPC1NR1I2AHRSMN1; SMN2

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 5 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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 (2 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 RAB9A 4343/4885NPC1 2552/4885NR1I2 716/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL RAB9A 2748/4885NPC1 2838/4885NR1I2 1335/4885

“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.