SCHEMBL1784344

SCHEMBL1784344

CC(C)c1ccc(CN2CCN(c3nn(C)c(=O)n(C)c3=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ FAAH O00519 1/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GPR183 P32249 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40

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
SCHEMBL21450680 0.72 MAPT (0.59) ALDH1A1SMN1; SMN2HTTFAAHLMNA
SCHEMBL6894415 0.72 LMNA (0.68) ALDH1A1SMN1; SMN2HTTFAAHLMNA
SCHEMBL26055149 0.72 DRD4 (0.70) ALDH1A1SMN1; SMN2HTTFAAHLMNA
SCHEMBL1780837 0.71 ALDH1A1 (0.54) ALDH1A1NPSR1ALOX15
SCHEMBL12625982 0.71 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HTTFAAHGPR183
SCHEMBL22794049 0.70 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTFAAHNPSR1
SCHEMBL14923999 0.69 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTFAAHNPSR1
SCHEMBL15247183 0.69 DRD4 (0.71) ALDH1A1HTTFAAHLMNATSHR
SCHEMBL4547890 0.69 HRH3 (0.65) ALDH1A1SMN1; SMN2HTT
SCHEMBL4547912 0.69 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HTTFAAH

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 ALDH1A1 390/4885SMN1; SMN2 1256/4885HTT 1465/4885

“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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