SCHEMBL1784669

SCHEMBL1784669

Cn1nc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(=O)n(C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ FAAH O00519 1/20 0.48
▸ MAOB P27338 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ GNRHR P30968 2/20 0.47
▸ RBP4 P02753 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ MAOA P21397 1/20 0.45

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
SCHEMBL1781126 0.83 TSHR (0.58) ALDH1A1LMNAMAPTTP53TSHR
SCHEMBL1780837 0.79 ALDH1A1 (0.54) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL1781717 0.77 POLB (0.55) KDM4EALDH1A1LMNAPOLBTP53
SCHEMBL30810302 0.76 KDM4E (0.72) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL6928385 0.76 KDM4E (0.72) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL1783072 0.75 GPR183 (0.46) KDM4EALDH1A1POLB
SCHEMBL12603841 0.75 TRPA1 (0.61) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL6863480 0.75 SIGMAR1 (0.67) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL8169598 0.75 KDM4E (0.59) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL1784344 0.74 ALDH1A1 (0.47) ALDH1A1LMNAFAAHTSHRDRD2

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
JP-2011528007-A — — 2011-11-10 — — JP claimed
EP-2328886-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS Pierre Fabre Médicament (FR) 2011-06-08 — — EP claimed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 — — US claimed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 — — WO claimed
EP-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 — — EP disclosed
US-8618287-B2 Derivatives of triazines and uracils, their preparation and their application in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2013-12-31 — — US disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 — — 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-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS UNG, TYMS, UMPS KDM4E 2189/4885ALDH1A1 390/4885GAA 2568/4885

“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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