SCHEMBL1576789

SCHEMBL1576789

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SCD O00767 6/20 0.46
▸ PPARD Q03181 6/20 0.44
▸ PPARA Q07869 6/20 0.44
▸ PPARG P37231 2/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ DGAT1 O75907 1/20 0.41
▸ MAPT P10636 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
SCHEMBL1576766 0.91 HSD17B3 (0.51) HSD17B3SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL12717189 0.90 HSD17B3 (0.48) HSD17B3SMN1; SMN2ALDH1A1SCDPPARD
SCHEMBL12717410 0.86 SCD (0.49) HSD17B3LMNASCDRAB9AMAPT
SCHEMBL1576791 0.85 SCD (0.45) HSD17B3LMNASCDRAB9AMAPT
SCHEMBL27862618 0.83 HSD17B3 (0.47) HSD17B3SMN1; SMN2SCDPPARDPPARA
SCHEMBL1576950 0.82 SCD (0.61) SMN1; SMN2ALDH1A1LMNASCDRAB9A
SCHEMBL1577114 0.81 HDAC1 (0.49) SMN1; SMN2ALDH1A1LMNAHPGDSCD
SCHEMBL12717187 0.80 MAPT (0.44) HSD17B3SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL27878887 0.78 SCD (0.52) SMN1; SMN2ALDH1A1SCDPPARDPPARA
SCHEMBL27878888 0.77 SCD (0.51) ALDH1A1SCDPPARDPPARAPPARG

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 6 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
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 94/4885SMN1; SMN2 4288/4885ALDH1A1 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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