SCHEMBL408203

SCHEMBL408203

O=C(O)c1cn(-c2ccccc2O)nc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.54
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HMGB1 P09429 1/20 0.40
HPGD P15428 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MYC P01106 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL408713 0.86 NOTUM (0.43) DGAT1MYC
SCHEMBL408668 0.84 DGAT1 (0.43) DGAT1ALDH1A1MYC
SCHEMBL408728 0.84 DGAT1 (0.47) DGAT1ALDH1A1MYCPOLB
SCHEMBL408273 0.82 DGAT1 (0.54) DGAT1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL442691 0.81 DGAT1 (0.61) DGAT1SMN1; SMN2KDM4ECA12ALDH1A1
SCHEMBL407667 0.76 DGAT1 (0.55) DGAT1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4293751 0.74 ALDH1A1 (0.54) DGAT1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL408898 0.74 DGAT1 (0.48) DGAT1SMN1; SMN2KDM4ECA12ALDH1A1
SCHEMBL23212137 0.73 BCAT2 (0.45) DGAT1KDM4ECA12ALDH1A1CA1
SCHEMBL29370792 0.73 BCAT2 (0.45) DGAT1KDM4ECA12ALDH1A1CA1

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 7 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
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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 (2 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 DGAT1 3/4885SMN1; SMN2 2456/4885KDM4E 2891/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT DGAT1 2/4885SMN1; SMN2 2301/4885KDM4E 2452/4885

“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.