SCHEMBL3810404

SCHEMBL3810404

O=C(O)c1ccc2c(c1)ncn2CCc1nnn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.44
FGFR1 P11362 1/20 0.44
HPGD P15428 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
PLA2G4A P47712 1/20 0.42
F10 P00742 1/20 0.41
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
TBXA2R P21731 1/20 0.39
PKM P14618 1/20 0.39
HDAC1 Q13547 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
SCHEMBL12034868 0.80 HPGD (0.40) HPGDALDH1A1HSD17B10GAAF10
SCHEMBL1308824 0.79 HSD11B1 (0.43) HPGDALDH1A1HSD17B10GAAKMT2A
SCHEMBL30138440 0.78 HTT (0.62) HCAR3FGFR1HPGDALDH1A1LMNA
SCHEMBL1307232 0.78 HSD11B1 (0.39)
SCHEMBL12034878 0.78 HSD11B1 (0.39)
SCHEMBL12052701 0.77 NPC1 (0.43) HPGDALDH1A1GAAKMT2A
SCHEMBL31183038 0.77 HCAR3 (0.55) HCAR3FGFR1HPGDALDH1A1LMNA
SCHEMBL1308827 0.77 HPGD (0.41) HPGDALDH1A1HSD17B10GAAKMT2A
SCHEMBL30138443 0.76 HCAR3 (0.58) HCAR3FGFR1HPGDALDH1A1LMNA
SCHEMBL3816420 0.76 HCAR3 (0.54) HCAR3FGFR1HPGDALDH1A1LMNA

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 5 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
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

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 HCAR3 506/4885FGFR1 3010/4885HPGD 27/4885
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, HSD3B1, HSD11B2 HCAR3 488/4885FGFR1 3384/4885HPGD 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.