SCHEMBL4262302

SCHEMBL4262302

COc1cccc(NC(=O)NC2CCC(Nc3cc(N(C)C)nc(C)n3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
KMT2A Q03164 4/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 3/20 0.57
MCHR1 Q99705 1/20 0.53
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CNR1 P21554 1/20 0.45
KCNH2 Q12809 1/20 0.45
AURKB Q96GD4 1/20 0.45
TP53 P04637 2/20 0.45
CXCR3 P49682 1/20 0.45
ALDH1A1 P00352 4/20 0.45
NFKB1 P19838 1/20 0.45
CASP3 P42574 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 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
SCHEMBL4262298 1.00 NPC1 (0.58) NPC1RAB9AKMT2AMAPTMEN1
Trifluoroacetic Acid SCHEMBL4257937 0.94 NPC1 (0.52) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL4263684 0.86 SMN1; SMN2 (0.50) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL4263695 0.86 SMN1; SMN2 (0.50) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL4263683 0.85 MCHR1 (0.73) NPC1RAB9AMCHR1CNR1KCNH2
SCHEMBL4263678 0.85 MCHR1 (0.73) NPC1RAB9AMCHR1CNR1KCNH2
SCHEMBL4264176 0.83 CNR1 (0.42) KMT2AMAPTMEN1MCHR1CNR1
SCHEMBL4264170 0.83 CNR1 (0.42) KMT2AMAPTMEN1MCHR1CNR1
SCHEMBL4257938 0.81 MCHR1 (0.42) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL4265061 0.80 MCHR1 (0.45) NPC1RAB9AKMT2AMEN1MCHR1

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 2 patents. 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
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 NPC1 600/4885RAB9A 3025/4885KMT2A 857/4885

“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.