SCHEMBL1306790

SCHEMBL1306790

COC(=O)c1ccc(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
RAB9A P51151 3/20 0.65
ALDH1A1 P00352 3/20 0.65
NPC1 O15118 1/20 0.65
PKM P14618 1/20 0.65
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
PTGER4 P35408 1/20 0.65
HCAR3 P49019 5/20 0.63
LMNA P02545 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
VCAM1 P19320 1/20 0.54
PRSS1 P07477 1/20 0.53

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
SCHEMBL5315342 0.89 MAPT (0.81) MAPTRAB9AALDH1A1NPC1PKM
SCHEMBL17263068 0.89 ALDH1A1 (0.52) MAPTRAB9AALDH1A1NPC1PKM
SCHEMBL1306733 0.88 MAPT (0.64) MAPTRAB9AALDH1A1NPC1PKM
SCHEMBL2252228 0.88 MAPT (0.82) MAPTRAB9AALDH1A1NPC1PKM
SCHEMBL2246295 0.88 MAPT (0.64) MAPTRAB9AALDH1A1NPC1PKM
SCHEMBL2248076 0.86 HCAR3 (0.74) MAPTRAB9AALDH1A1NPC1PKM
SCHEMBL9725412 0.86 ALDH1A1 (0.63) MAPTRAB9AALDH1A1NPC1PKM
SCHEMBL9192588 0.86 HCAR3 (0.77) MAPTRAB9AALDH1A1NPC1PKM
SCHEMBL19436444 0.85 PRSS1 (0.64) MAPTRAB9AALDH1A1NPC1PKM
SCHEMBL20797593 0.85 MAPT (0.73) MAPTRAB9AALDH1A1NPC1PKM

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-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
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 MAPT 3931/4885RAB9A 2870/4885ALDH1A1 187/4885
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, HSD3B1, HSD11B2 MAPT 3897/4885RAB9A 2996/4885ALDH1A1 206/4885

“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.