SCHEMBL1803149

SCHEMBL1803149

O=C(Cc1ccc(I)cc1)NC[C@H]1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
SCN9A Q15858 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PARP1 P09874 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
PBK Q96KB5 2/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CACNA1F O60840 1/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL13694086 0.86 POLB (0.53) NPC1RAB9APOLBPBKOPRK1
SCHEMBL18917465 0.83 POLB (0.56) NPC1RAB9APOLBPARP1PBK
SCHEMBL13096547 0.74 CDK2 (0.52) NPC1KDM4ELMNAPOLBSIGMAR1
SCHEMBL27870142 0.73 POLB (0.61) POLB
SCHEMBL4468927 0.72 LTA4H (0.44)
SCHEMBL12507083 0.71 MTNR1A (0.44) FPR3FPR2
SCHEMBL16509288 0.71 MTNR1A (0.44) FPR3FPR2
SCHEMBL27650820 0.71 DRD2 (0.38) LMNASCN9ACYP1A2CYP2D6PBK
SCHEMBL12133584 0.71 DRD2 (0.38) LMNASCN9ACYP1A2CYP2D6PBK
SCHEMBL15244822 0.70 FDPS (0.44) LMNASIGMAR1SCN9ASLC6A3CYP1A2

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 3 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

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 NPC1 4825/4885RAB9A 3772/4885KDM4E 2296/4885

“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.