SCHEMBL12717189

SCHEMBL12717189

CNC(=O)c1cc(-n2cnn(Cc3ccc(F)cc3)c2=O)nn1Cc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.48
▸ SCD O00767 11/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL1576789 0.90 HSD17B3 (0.50) HSD17B3SCDALDH1A1MEN1KMT2A
SCHEMBL1576766 0.89 HSD17B3 (0.51) HSD17B3SCDALDH1A1MEN1KMT2A
SCHEMBL12717410 0.88 SCD (0.49) HSD17B3SCDMAPTRAB9A
SCHEMBL1576791 0.87 SCD (0.45) HSD17B3SCDMAPTRAB9A
SCHEMBL1576950 0.84 SCD (0.61) SCDALDH1A1MEN1KMT2AGAA
SCHEMBL27862618 0.82 HSD17B3 (0.47) HSD17B3SCDMEN1KMT2APPARG
SCHEMBL27878887 0.76 SCD (0.52) SCDALDH1A1PPARGPPARDPPARA
SCHEMBL12717844 0.75 SCD (0.46) SCDALDH1A1GAAPPARGPPARD
SCHEMBL27878888 0.75 SCD (0.51) SCDALDH1A1PPARGPPARDPPARA
SCHEMBL24799275 0.72 HDAC3 (0.58) ALDH1A1MEN1KMT2AGAAMAPT

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
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
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 HSD17B3 94/4885SCD 1/4885ALDH1A1 601/4885

“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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