SCHEMBL1577065

SCHEMBL1577065

COC(=O)c1cc(NC(=O)NN)nn1Cc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
PTGS2 P35354 1/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1C3 P42330 3/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40

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
SCHEMBL1576694 0.86 MAPT (0.44) MAPTPTGS2POLBALDH1A1SMN1; SMN2
SCHEMBL13387689 0.84 MAPT (0.44) MAPTPTGS2POLBALDH1A1SMN1; SMN2
SCHEMBL1577128 0.81 MAPT (0.51) MAPTPTGS2POLBALDH1A1SMN1; SMN2
SCHEMBL1888351 0.80 MAPT (0.54) MAPTPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL27974299 0.79 RAB9A (0.60) MAPTPTGS2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1883985 0.79 SMN1; SMN2 (0.55) MAPTPTGS2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28702025 0.79 MAPT (0.52) MAPTPTGS2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL22013582 0.79 PTGS2 (0.47) MAPTPTGS2POLBALDH1A1SMN1; SMN2
SCHEMBL12675281 0.79 MAPT (0.49) MAPTPTGS2POLBALDH1A1SMN1; SMN2
SCHEMBL25311260 0.78 MAPT (0.51) MAPTPTGS2ALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 US disclosed
EP-2483264-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE Novartis AG (CH) 2012-08-08 EP disclosed
WO-2011039358-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2011-04-07 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 (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-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE SCD, SCD5, FADS2 MAPT 4129/4885PTGS2 672/4885POLB 3535/4885

“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.