SCHEMBL14480121

SCHEMBL14480121

O=C(NCc1ccccn1)c1cc(-n2cnn(Cc3ccc(F)cc3)c2=O)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 14/20 0.62
▸ TP53 P04637 1/20 0.43
▸ DGAT2 Q96PD7 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL14480138 0.88 SCD (0.49) SCD
SCHEMBL12717670 0.86 SCD (0.48) SCDMAPK1
SCHEMBL12717858 0.85 SCD (0.63) SCD
SCHEMBL12717805 0.84 SCD (0.62) SCD
SCHEMBL1767431 0.84 SCD (0.67) SCDTP53DGAT2POLB
SCHEMBL12717837 0.84 SCD (0.46) SCDMAPK1
SCHEMBL1576985 0.84 SCD (0.49) SCDTP53
SCHEMBL1577092 0.82 SCD (0.52) SCDPOLB
SCHEMBL12717844 0.81 SCD (0.46) SCDPOLBALDH1A1
SCHEMBL12717697 0.81 SCD (0.62) SCDMAPK1

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 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

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 1/4885TP53 4736/4885DGAT2 27/4885

“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.

Send feedback