SCHEMBL3812592

SCHEMBL3812592

O=C(O)c1ccc2c(c1)ncn2CCNC(=O)N1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 4/20 0.44
F2 P00734 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.41
HCAR3 P49019 1/20 0.40
FGFR1 P11362 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL3818854 0.94 HPGD (0.46) HSD17B10GAAHPGDF2ALDH1A1
SCHEMBL3809850 0.86 HDAC1 (0.50) HSD17B10GAAHPGDALDH1A1MAPK1
SCHEMBL1306682 0.86 HPGD (0.44) GAAHPGDF2ALDH1A1MAPK1
SCHEMBL3817760 0.85 HPGD (0.44) HSD17B10GAAHPGDALDH1A1MAPK1
SCHEMBL12034882 0.83 HPGD (0.44) GAAHPGDALDH1A1MAPK1NPC1
SCHEMBL12053168 0.82 HPGD (0.43) GAAHPGDF2ALDH1A1MAPK1
SCHEMBL1307030 0.81 HSD11B1 (0.39) HPGDALDH1A1MAPK1NPC1USP2
SCHEMBL1308069 0.81 HPGD (0.42) GAAHPGDF2ALDH1A1MAPK1
SCHEMBL12034937 0.81 HPGD (0.42) GAAHPGDF2ALDH1A1MAPK1
SCHEMBL1306185 0.81 HPGD (0.42) GAAHPGDF2ALDH1A1MAPK1

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 9 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
CN-101355938-A Pharmaceutical use of substituted amides TRANSTECH PHARMA INC (US) 2009-01-28 CN 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-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-07 US disclosed
CN-101355938-A Pharmaceutical use of substituted amides TRANSTECH PHARMA INC (US) 2009-01-28 CN disclosed
EP-1945207-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES Transtech Pharma, Inc. (US) 2008-07-23 EP disclosed
WO-2007051811-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO 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 HSD17B10 20/4885GAA 697/4885HPGD 27/4885
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, HSD3B1, HSD11B2 HSD17B10 23/4885GAA 778/4885HPGD 28/4885

“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.