SCHEMBL1751929

SCHEMBL1751929

CNS(=O)(=O)c1ccc(CNN)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
CA1 P00915 12/20 0.52
CA2 P00918 12/20 0.52
CA9 Q16790 10/20 0.52
CA12 O43570 7/20 0.52
CA4 P22748 3/20 0.52
CA6 P23280 3/20 0.52
CA5A P35218 3/20 0.52
CA7 P43166 3/20 0.52
CA5B Q9Y2D0 3/20 0.52
CA3 P07451 2/20 0.52
CA13 Q8N1Q1 2/20 0.52
CA14 Q9ULX7 2/20 0.52
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NAMPT P43490 1/20 0.46

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
SCHEMBL15699779 0.84 SMN1; SMN2 (0.57) SMN1; SMN2GAACA1CA2CA9
SCHEMBL1255246 0.81 SMN1; SMN2 (0.53) SMN1; SMN2GAACA1CA2CA9
SCHEMBL1255365 0.81 CA9 (0.57) SMN1; SMN2GAACA1CA2CA9
SCHEMBL1751928 0.81 SMN1; SMN2 (0.53) SMN1; SMN2GAACA1CA2CA9
SCHEMBL1134875 0.80 CA9 (0.59) SMN1; SMN2GAACA1CA2CA9
SCHEMBL8197786 0.79 CA2 (0.70) CA1CA2CA9CA12CA4
SCHEMBL11814034 0.79 CA2 (0.53) CA1CA2CA9CA12CA4
SCHEMBL11621337 0.78 PSIP1 (0.62) GAACA1CA2CA9CA12
SCHEMBL7629070 0.78 SMN1; SMN2 (0.80) SMN1; SMN2GAACA1CA2CA9
SCHEMBL568013 0.78 SMN1; SMN2 (0.50) SMN1; SMN2GAACA1CA2CA9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968584-B2 Substituted arylpyrazoles PFIZER INC. (US) 2011-06-28 US disclosed
US-7645786-B2 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2010-01-12 US disclosed
EP-2102167-A2 SUBSTITUTED ARYLPYRAZOLES Pfizer Limited (GB) 2009-09-23 EP disclosed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US disclosed
US-7538134-B2 Substituted arylpyrazoles PFIZER INC. (US) 2009-05-26 US disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
US-20080146643-A1 COMBINATION PFIZER LIMITED (GB) 2008-06-19 US disclosed
WO-2008072053-A2 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-06-19 WO disclosed
EP-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP disclosed
US-20070149464-A1 COMBINATION PFIZER INC. (US) 2007-06-28 US disclosed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 US disclosed
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 US disclosed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 WO 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 (6 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-20080146643-A1 COMBINATION PIGO, EPX, PIGS SMN1; SMN2 1519/4885GAA 587/4885CA1 1875/4885
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 SMN1; SMN2 2801/4885GAA 774/4885CA1 3510/4885
US-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 SMN1; SMN2 2801/4885GAA 774/4885CA1 3510/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 SMN1; SMN2 2801/4885GAA 774/4885CA1 3510/4885
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days CYP3A43, CYP3A4, CYP2F1 SMN1; SMN2 1163/4885GAA 1656/4885CA1 2148/4885
US-20070149464-A1 COMBINATION PIGO, EPX, PIGS SMN1; SMN2 1519/4885GAA 587/4885CA1 1875/4885

“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.