SCHEMBL1307673

SCHEMBL1307673

O=C(O)C1CCN(C(=O)NCCn2cnc3cc(C(=O)N4CCCC5CCCC=C54)ccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.41
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.36
NAMPT P43490 1/20 0.35
NPC1 O15118 2/20 0.35
F2 P00734 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
OXTR P30559 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1306185 0.92 HPGD (0.42) HPGDALDH1A1MAPK1NAMPTNPC1
SCHEMBL1306732 0.90 ALDH1A1 (0.45) HPGDALDH1A1MAPK1NPC1MEN1
SCHEMBL1307651 0.89 HPGD (0.41) HPGDALDH1A1MAPK1NAMPTNPC1
SCHEMBL1308086 0.89 HPGD (0.41) HPGDALDH1A1MAPK1NAMPTNPC1
SCHEMBL1307032 0.81 HPGD (0.46) HPGDALDH1A1NAMPTNPC1F2
SCHEMBL1307674 0.81 HPGD (0.43) HPGDALDH1A1MAPK1NAMPTNPC1
SCHEMBL1307620 0.79 HPGD (0.46) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL1308069 0.78 HPGD (0.42) HPGDALDH1A1MAPK1NAMPTNPC1
SCHEMBL12034937 0.78 HPGD (0.42) HPGDALDH1A1MAPK1NAMPTNPC1
SCHEMBL3809041 0.78 F2 (0.42) HPGDALDH1A1NAMPTF2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-07 US claimed
EP-1945207-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES Transtech Pharma, Inc. (US) 2008-07-23 EP claimed
WO-2007051811-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO claimed
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC (US) 2011-12-22 US disclosed
US-8053431-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
US-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-07 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 (2 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-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, CYP11B1, HSD11B2 HPGD 27/4885ALDH1A1 187/4885MAPK1 1496/4885
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, HSD3B1, HSD11B2 HPGD 28/4885ALDH1A1 206/4885MAPK1 1770/4885

“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.