SCHEMBL1576791

SCHEMBL1576791

COc1ccc(Cn2nc(-n3cnn(Cc4ccc(F)cc4)c3=O)cc2C(=O)NCc2ccc(F)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 11/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HSD17B3 P37058 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MMP13 P45452 1/20 0.41

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
SCHEMBL12717410 0.91 SCD (0.49) SCDMAPTHSD17B3RAB9ALMNA
SCHEMBL1576950 0.87 SCD (0.61) SCDRAB9ALMNATP53POLB
SCHEMBL12717189 0.87 HSD17B3 (0.48) SCDMAPTHSD17B3RAB9A
SCHEMBL1576789 0.85 HSD17B3 (0.50) SCDMAPTHSD17B3RAB9ALMNA
SCHEMBL1576766 0.84 HSD17B3 (0.51) SCDHSD17B3RAB9ALMNA
SCHEMBL12717837 0.77 SCD (0.46) SCD
SCHEMBL27862618 0.77 HSD17B3 (0.47) SCDHSD17B3RAB9A
SCHEMBL27878887 0.72 SCD (0.52) SCDMAPT
SCHEMBL27878888 0.71 SCD (0.51) SCDMAPT
SCHEMBL1577114 0.67 HDAC1 (0.49) SCDMAPTRAB9ALMNATP53

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
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 — — US disclosed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 — — US disclosed
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 SCD 1/4885MAPT 4129/4885HSD17B3 94/4885

“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.

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