SCHEMBL4263695

SCHEMBL4263695

COc1ccc(NC(=O)NC2CCC(Nc3cc(N(C)C)nc(C)n3)CC2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 6/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
AURKB Q96GD4 2/20 0.41
CNR1 P21554 1/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
KMT2A Q03164 3/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
MEN1 O00255 2/20 0.40
CHRM4 P08173 1/20 0.40
KDR P35968 1/20 0.40
EPHX1 P07099 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
SCHEMBL4263684 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1MAPTTP53NPC1
SCHEMBL4264176 0.89 CNR1 (0.42) SMN1; SMN2NPSR1MAPTKDM4EALDH1A1
SCHEMBL4264170 0.89 CNR1 (0.42) SMN1; SMN2NPSR1MAPTKDM4EALDH1A1
SCHEMBL4262298 0.86 NPC1 (0.58) SMN1; SMN2MAPTTP53NPC1ALDH1A1
SCHEMBL4262302 0.86 NPC1 (0.58) SMN1; SMN2MAPTTP53NPC1ALDH1A1
SCHEMBL4258752 0.82 KMT2A (0.46) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL4258750 0.82 KMT2A (0.46) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL4265061 0.81 MCHR1 (0.45) SMN1; SMN2NPC1ALDH1A1AURKBCNR1
SCHEMBL4265059 0.81 MCHR1 (0.45) SMN1; SMN2NPC1ALDH1A1AURKBCNR1
SCHEMBL6876727 0.81 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1MAPTTP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US claimed

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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 SMN1; SMN2 898/4885NPSR1 75/4885MAPT 412/4885

“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.