SCHEMBL9607726

SCHEMBL9607726

Oc1nc(C2CCCCC2)nc(O)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.44
ALOX5AP P20292 4/20 0.42
FEN1 P39748 4/20 0.42
SGMS2 Q8NHU3 1/20 0.40
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 2/20 0.39
HTR1A P08908 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
SCHEMBL9607731 0.84 PDE5A (0.45) PDE5AALOX5APFEN1SGMS2CNR2
SCHEMBL9607734 0.73 ALOX5 (0.46) PDE5AALOX5APFEN1KMT2AKDM4E
SCHEMBL1232135 0.71 LMNA (0.52) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL4837936 0.71 PDE5A (0.60) PDE5ALMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9607720 0.70 LMNA (0.43) FEN1SLC6A2SLC6A3LMNACYP1A2
SCHEMBL7985304 0.69 SMN1; SMN2 (0.44) PDE5AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5249481 0.68 HRH3 (0.60) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL5796365 0.68 CYP1A2 (0.49) SLC6A2SLC6A3LMNACYP1A2PTGS1
SCHEMBL6722906 0.68 ACMSD (0.48) SGMS2SLC6A2SLC6A3KMT2ASLC6A4
SCHEMBL19127757 0.67 L3MBTL1 (0.47) SLC6A2SLC6A3LMNACYP1A2PTGS1

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 761/4885ALOX5AP 1156/4885FEN1 2570/4885

“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.