SCHEMBL1131706

SCHEMBL1131706

O=C(O)/C=C/c1cn(C2CCCCC2)c(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.41
BTK Q06187 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
PTGER3 P43115 1/20 0.40
PTGDR Q13258 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
IGF1R P08069 1/20 0.40
GSK3B P49841 1/20 0.40
BACE1 P56817 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
WDR5 P61964 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL1131710 1.00 ALOX5 (0.42) ALOX5KDM4ESMN1; SMN2KMT2ABTK
SCHEMBL1131479 0.91 ALOX5 (0.43) ALOX5KDM4ESMN1; SMN2KMT2ABTK
SCHEMBL1131560 0.91 ALOX5 (0.43) ALOX5KDM4ESMN1; SMN2KMT2ABTK
SCHEMBL1131256 0.89 PRMT5 (0.41) ALOX5KDM4ESMN1; SMN2KMT2ABTK
SCHEMBL1131252 0.89 PRMT5 (0.41) ALOX5KDM4ESMN1; SMN2KMT2ABTK
SCHEMBL12860142 0.85 ALDH1A1 (0.39) KDM4ESMN1; SMN2KMT2AALDH1A1HRH3
SCHEMBL1131481 0.85 PTPN1 (0.44) ALOX5KDM4ESMN1; SMN2KMT2ABTK
SCHEMBL1131573 0.85 PTPN1 (0.44) ALOX5KDM4ESMN1; SMN2KMT2ABTK
SCHEMBL1131258 0.83 ALOX5 (0.41) ALOX5KDM4ESMN1; SMN2KMT2ABTK
SCHEMBL1131692 0.82 PTPN1 (0.48) ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP claimed
EP-1663105-A4 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-04-15 EP claimed
JP-2007505114-A 2007-03-08 JP claimed
EP-1663105-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-06-07 EP claimed
WO-2005034850-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO claimed
US-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 US claimed
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP disclosed
EP-1663105-A4 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-04-15 EP disclosed
US-7112601-B2 Cycloalkyl heterocycles for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
EP-1663105-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-06-07 EP disclosed
WO-2005034850-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 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-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus HCCS, NSUN2, HAVCR2 ALOX5 775/4885KDM4E 2970/4885SMN1; SMN2 3593/4885

“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.