SCHEMBL440809

SCHEMBL440809

O=C(NCCNC(=O)N1CCOCC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.60
KDM5B Q9UGL1 7/20 0.54
KDM5A P29375 1/20 0.49
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL440817 0.91 DGAT1 (0.61) DGAT1KDM5B
SCHEMBL437998 0.90 DGAT1 (0.62) DGAT1KDM5B
Hydrochloric Acid SCHEMBL4930036 0.89 DGAT1 (0.61) DGAT1KDM5B
SCHEMBL437406 0.87 DGAT1 (0.59) DGAT1KDM5B
SCHEMBL440581 0.87 DGAT1 (0.60) DGAT1KDM5BALDH1A1
SCHEMBL462632 0.86 DGAT1 (0.61) DGAT1
SCHEMBL438636 0.86 DGAT1 (0.58) DGAT1KDM5BALDH1A1
SCHEMBL438753 0.85 DGAT1 (0.57) DGAT1KDM5B
SCHEMBL439558 0.85 DGAT1 (0.57) DGAT1
Benzene SCHEMBL437813 0.85 DGAT1 (0.57) DGAT1KDM5B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT DGAT1 2/4885KDM5B 2489/4885KDM5A 2515/4885

“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.