SCHEMBL12717844

SCHEMBL12717844

CNC(=O)c1cc(-n2cnn(Cc3ccc(F)cc3)c2=O)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 11/20 0.46
▸ PPARD Q03181 3/20 0.42
▸ PPARA Q07869 3/20 0.42
▸ PPARG P37231 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1577082 0.86 SCD (0.53) SCDPPARDPPARAPPARG
SCHEMBL14480138 0.85 SCD (0.49) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL12717670 0.84 SCD (0.48) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL12717837 0.84 SCD (0.46) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL1577092 0.84 SCD (0.52) SCDPPARDPPARAPPARGPOLB
SCHEMBL12717697 0.83 SCD (0.62) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL1576985 0.83 SCD (0.49) SCDPPARDPPARAPPARGHDAC3
SCHEMBL14480121 0.81 SCD (0.62) SCDPOLBALDH1A1
SCHEMBL12717805 0.81 SCD (0.62) SCDGAA
SCHEMBL12717858 0.81 SCD (0.63) SCDPPARDPPARAPPARGHDAC3

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 claimed
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 1/4885PPARD 15/4885PPARA 35/4885

“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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