SCHEMBL2332416

SCHEMBL2332416

COc1ccc2c(c1)N(C)/C(=C1/S/C(=N/c3cccc(NC(=O)CN(C)C)c3)N(Cc3ccco3)C1=O)S2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
KMT2A Q03164 7/20 0.58
LMNA P02545 7/20 0.58
MEN1 O00255 6/20 0.58
ALDH1A1 P00352 6/20 0.58
TP53 P04637 3/20 0.58
TSHR P16473 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
ESR2 Q92731 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NPSR1 Q6W5P4 4/20 0.54
RXFP1 Q9HBX9 2/20 0.54
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.41
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL2332419 1.00 MAPT (0.58) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL7143214 0.83 KMT2A (0.58) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL2338503 0.79 KMT2A (0.46) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL2338502 0.79 KMT2A (0.46) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL12449330 0.76 MAPT (0.49) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL2334276 0.76 MAPT (0.49) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL2334278 0.76 MAPT (0.49) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL2333517 0.76 MAPT (0.40) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL2333514 0.76 MAPT (0.40) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL12448388 0.76 MAPT (0.40) MAPTKMT2ALMNAMEN1ALDH1A1

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 8 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 claimed
US-6696473-B2 THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM X-CEPTOR THERAPEUTICS, INC. 2004-02-24 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
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

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 4111/4885KMT2A 2838/4885LMNA 2921/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 MAPT 4111/4885KMT2A 2838/4885LMNA 2921/4885

“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.