SCHEMBL2336945

SCHEMBL2336945

CCNc1ccc(C(C)=O)cc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1Cc1cccc(C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MAPT P10636 7/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ESR2 Q92731 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GSK3B P49841 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2336942 1.00 KMT2A (0.43) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL2336469 0.94 TP53 (0.41) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL2336467 0.94 TP53 (0.41) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL2337937 0.93 KMT2A (0.40) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL2338210 0.93 KMT2A (0.40) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL2333260 0.93 TP53 (0.42) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL2333257 0.93 TP53 (0.42) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL2334960 0.91 KMT2A (0.43) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL2334965 0.91 KMT2A (0.43) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL12448412 0.89 GSK3B (0.40) KMT2AMAPTMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696473-B2 THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM X-CEPTOR THERAPEUTICS, INC. 2004-02-24 US claimed
US-20030212111-A1 Heterocyclic modulators of nuclear receptors AKARNA THERAPEUTICS, LTD. (GB) 2003-11-13 US claimed
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 KMT2A 2838/4885MAPT 4111/4885MEN1 4537/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 KMT2A 2838/4885MAPT 4111/4885MEN1 4537/4885

“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.