SCHEMBL9607731

SCHEMBL9607731

Clc1nc(C2CCCCC2)nc(Cl)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.45
PDE10A Q9Y233 1/20 0.45
ALOX5AP P20292 4/20 0.43
FEN1 P39748 4/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
OPRK1 P41145 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 1/20 0.40
HSD11B1 P28845 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SGMS2 Q8NHU3 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
SCHEMBL9607734 0.84 ALOX5 (0.46) PDE5APDE10AALOX5APFEN1KDM4E
SCHEMBL9607726 0.84 PDE5A (0.44) PDE5AALOX5APFEN1KDM4EMEN1
SCHEMBL18399039 0.76 ALOX5AP (0.41) PDE10AALOX5APFEN1KDM4EMEN1
SCHEMBL6919137 0.75 PDE10A (0.40) PDE10AHSD11B1CNR2CNR1
SCHEMBL1233184 0.72 TSHR (0.45) ALOX5APFEN1MEN1ALDH1A1KMT2A
SCHEMBL4836360 0.72 PDE5A (0.60) PDE5AMEN1ALDH1A1KMT2APOLB
SCHEMBL13356962 0.72 PDE5A (0.60) PDE5AMEN1ALDH1A1KMT2APOLB
SCHEMBL4778125 0.71 PDE5A (0.38) PDE5APDE10AKDM4EMEN1ALDH1A1
SCHEMBL5249481 0.69 HRH3 (0.60) KDM4EKMT2ASLC6A2SLC6A3
SCHEMBL9607729 0.69 POLB (0.42) ALOX5APFEN1KDM4EMEN1ALDH1A1

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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 PDE5A 761/4885PDE10A 1073/4885ALOX5AP 1156/4885

“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.