SCHEMBL12717410

SCHEMBL12717410

COc1ccc(Cn2nc(-n3cnn(Cc4ccc(F)cc4)c3=O)cc2C(=O)NCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 6/20 0.49
▸ RAB9A P51151 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ PTGER4 P35408 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ HSD17B3 P37058 1/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.44

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
SCHEMBL1576950 0.91 SCD (0.61) SCDRAB9ALMNATP53DHODH
SCHEMBL1576791 0.91 SCD (0.45) SCDRAB9AMAPTLMNATP53
SCHEMBL12717189 0.88 HSD17B3 (0.48) SCDRAB9AMAPTHSD17B3
SCHEMBL1576766 0.86 HSD17B3 (0.51) SCDRAB9ALMNAHSD17B3
SCHEMBL1576789 0.86 HSD17B3 (0.50) SCDRAB9AMAPTLMNAHSD17B3
SCHEMBL27878887 0.80 SCD (0.52) SCDMAPT
SCHEMBL27862618 0.78 HSD17B3 (0.47) SCDRAB9AHSD17B3
SCHEMBL14480138 0.77 SCD (0.49) SCDMAPTPTGER4LMNACNR2
SCHEMBL1767551 0.77 SCD (0.53) SCDMAPTPTGER4LMNATP53
SCHEMBL14368130 0.77 PTGER4 (0.57) RAB9AMAPTPTGER4LMNADHODH

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 SCD 1/4885RAB9A 3076/4885MAPT 4129/4885

“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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