SCHEMBL2336341

SCHEMBL2336341

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.58
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 4/20 0.50
DCTPP1 Q9H773 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.46

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
SCHEMBL1417655 0.89 HCAR3 (0.51) HCAR3MAPTALDH1A1L3MBTL1HTT
SCHEMBL2339865 0.89 HCAR3 (0.74) HCAR3MAPTALDH1A1L3MBTL1HTT
SCHEMBL3060501 0.85 HCAR3 (0.61) HCAR3MAPTALDH1A1L3MBTL1HTT
SCHEMBL2019450 0.83 HCAR3 (0.58) HCAR3MAPTALDH1A1HTTLMNA
SCHEMBL3107530 0.82 MAPT (0.52) HCAR3MAPTALDH1A1L3MBTL1HTT
SCHEMBL3104435 0.82 RAB9A (0.66) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL1418448 0.81 CTSK (0.54) HCAR3MAPTALDH1A1L3MBTL1HTT
SCHEMBL7979954 0.80 HCAR3 (0.67) HCAR3MAPTALDH1A1L3MBTL1HTT
SCHEMBL3116351 0.79 ALDH1A1 (0.50) HCAR3MAPTALDH1A1HTTLMNA
SCHEMBL3107502 0.79 PRMT5 (0.56) MAPTALDH1A1HTTLMNACYP1A2

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.