SCHEMBL2339865

SCHEMBL2339865

CCNC(=O)c1ccc(NCC)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 9/20 0.74
MAPT P10636 7/20 0.65
ALDH1A1 P00352 4/20 0.65
HTT P42858 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
PTGER4 P35408 1/20 0.54
LMNA P02545 3/20 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
SCHEMBL2336341 0.89 HCAR3 (0.58) HCAR3MAPTALDH1A1HTTL3MBTL1
SCHEMBL7979954 0.89 HCAR3 (0.67) HCAR3MAPTALDH1A1HTTL3MBTL1
SCHEMBL2335070 0.86 HCAR3 (0.63) HCAR3MAPTALDH1A1HTTL3MBTL1
SCHEMBL24032 0.85 HCAR3 (1.00) HCAR3MAPTALDH1A1HTTL3MBTL1
SCHEMBL5674224 0.84 HCAR3 (0.76) HCAR3MAPTALDH1A1HTTL3MBTL1
Hydrochloric Acid SCHEMBL1602524 0.84 HCAR3 (0.97) HCAR3MAPTALDH1A1HTTL3MBTL1
SCHEMBL1602521 0.84 HCAR3 (0.76) HCAR3MAPTALDH1A1HTTL3MBTL1
SCHEMBL2248076 0.83 HCAR3 (0.74) HCAR3MAPTALDH1A1HTTL3MBTL1
SCHEMBL28003095 0.83 KMT2A (0.73) HCAR3MAPTALDH1A1HTTL3MBTL1
SCHEMBL3116351 0.82 ALDH1A1 (0.50) HCAR3MAPTALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed
US-7115640-B2 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. (US) 2006-10-03 US disclosed
EP-1465882-A4 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2005-04-06 EP disclosed
EP-1465882-A2 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20040180942-A1 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. 2004-09-16 US disclosed
US-6696473-B2 THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM X-CEPTOR THERAPEUTICS, INC. 2004-02-24 US disclosed
WO-2003060078-A9 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2004-02-19 WO disclosed
US-20030212111-A1 Heterocyclic modulators of nuclear receptors AKARNA THERAPEUTICS, LTD. (GB) 2003-11-13 US disclosed
WO-2003060078-A2 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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-20040180942-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 HCAR3 79/4885MAPT 4111/4885ALDH1A1 2884/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 HCAR3 79/4885MAPT 4111/4885ALDH1A1 2884/4885

“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.