SCHEMBL13570367

SCHEMBL13570367

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)C4CCCCC4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
CNR1 P21554 1/20 0.48
PTPN1 P18031 3/20 0.47
PTPN2 P17706 1/20 0.45
SMO Q99835 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRNA7 P36544 4/20 0.42

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
SCHEMBL12490017 0.97 SMO (0.45) CNR2CNR1PTPN1PTPN2SMO
SCHEMBL14664066 0.96 SMO (0.46) CNR2CNR1PTPN1SMOTSHR
SCHEMBL13570409 0.96 SMO (0.46) CNR2CNR1PTPN1SMOTSHR
SCHEMBL14665113 0.91 MEN1 (0.43) CNR2CNR1SMOALDH1A1KDM4E
SCHEMBL2192327 0.89 NPC1 (0.44) CNR2CNR1PTPN1SMOALDH1A1
SCHEMBL13571673 0.89 ALDH1A1 (0.47) SMOALDH1A1KDM4EMEN1NPC1
SCHEMBL2192495 0.88 CNR2 (0.44) CNR2CNR1SMOALDH1A1KDM4E
SCHEMBL2196787 0.88 ALDH1A1 (0.49) SMOALDH1A1KDM4EMEN1NPC1
SCHEMBL2192120 0.87 ALDH1A1 (0.47) SMOALDH1A1KDM4EMEN1NPC1
SCHEMBL2194270 0.86 MEN1 (0.44) SMOALDH1A1KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US claimed
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP claimed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 CNR2 4697/4885CNR1 4439/4885PTPN1 409/4885

“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.