SCHEMBL12717697

SCHEMBL12717697

Cn1cc(CNC(=O)c2cc(-n3cnn(Cc4ccc(F)cc4)c3=O)n[nH]2)cn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 13/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ FSCN1 Q16658 1/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ RORC P51449 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
SCHEMBL14480138 0.87 SCD (0.49) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL12717670 0.86 SCD (0.48) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL12717837 0.86 SCD (0.46) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL12717805 0.84 SCD (0.62) SCD
SCHEMBL1576985 0.84 SCD (0.49) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL1577092 0.83 SCD (0.52) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL12717844 0.83 SCD (0.46) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL14480121 0.81 SCD (0.62) SCDMAPK1
SCHEMBL12717859 0.81 SCD (0.47) SCDSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL12717858 0.80 SCD (0.63) SCDHDAC3HDAC4HDAC1HDAC7

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 3 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
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 1/4885SMN1; SMN2 4288/4885HDAC3 67/4885

“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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