SCHEMBL1802808

SCHEMBL1802808

NC(=O)[C@H]1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
DPP4 P27487 2/20 0.41
AR P10275 1/20 0.41
POLB P06746 1/20 0.41
SPHK1 Q9NYA1 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGA4 P13612 1/20 0.38
PDK2 Q15119 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
SCHEMBL10519057 1.00 ELANE (0.42) ELANEDPP4ARPOLBSPHK1
SCHEMBL4629178 0.87 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL4629180 0.87 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL17923185 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL18040347 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL26062664 0.81 LTA4H (0.46) LMNAALDH1A1ITGB3ITGB1ITGAV
SCHEMBL15804626 0.81 LMNA (0.40) LMNASMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL31696763 0.81 LTA4H (0.46) LMNAALDH1A1ITGB3ITGB1ITGAV
SCHEMBL3825928 0.80 MAPT (0.40) LMNACHRM2CHRM1CHRM3KEAP1
SCHEMBL15804629 0.79 LMNA (0.39) DPP4LMNAALDH1A1SMN1; SMN2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315767-B1 PYRIDINO-PYRIDINONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-09-04 EP disclosed
US-8436011-B2 Pyridinopyridinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-05-07 US disclosed
US-20110124643-A1 PYRIDINOPYRIDINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-05-26 US disclosed
EP-2315767-A2 PYRIDINO-PYRIDINONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-05-04 EP disclosed
WO-2010004197-A2 PYRIDINO-PYRIDINONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 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 (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-20110124643-A1 PYRIDINOPYRIDINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, PDGFRB, PDGFRA ELANE 3510/4885DPP4 1518/4885AR 3493/4885

“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.