SCHEMBL2332380

SCHEMBL2332380

CCNc1ccc(C#N)cc1N=C1SCC(=O)N1Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL2332377 1.00 MAPT (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL2082764 0.89 MAPT (0.48) MAPTALDH1A1MAPK1LMNAGAA
SCHEMBL2082765 0.89 MAPT (0.48) MAPTALDH1A1MAPK1LMNAGAA
SCHEMBL2333668 0.84 MAPT (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL2333673 0.84 MAPT (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL2336997 0.77 KMT2A (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2337003 0.77 KMT2A (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2334296 0.77 NPSR1 (0.35) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2334300 0.77 NPSR1 (0.35) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5671004 0.75 ALDH1A1 (0.34) MAPTALDH1A1SMN1; SMN2HPGDNPSR1

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
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 MAPT 4111/4885ALDH1A1 2884/4885MAPK1 2734/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 MAPT 4111/4885ALDH1A1 2884/4885MAPK1 2734/4885

“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.