SCHEMBL2335209

SCHEMBL2335209

CC(=O)Nc1ccc2sc(S)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
KDM4E B2RXH2 6/20 0.55
NPC1 O15118 5/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
KMT2A Q03164 4/20 0.55
GLA P06280 1/20 0.55
TNNI3 P19429 1/20 0.55
TNNT2 P45379 1/20 0.55
TNNC1 P63316 1/20 0.55
RUNX1 Q01196 1/20 0.55
CBFB Q13951 1/20 0.55
LDHA P00338 2/20 0.55
PABPC1 P11940 1/20 0.53
DYRK1A Q13627 7/20 0.51
CLK1 P49759 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL2340714 0.88 LDHA (0.71) RAB9AKDM4ENPC1MEN1MAPT
SCHEMBL4011536 0.83 LDHA (0.78) RAB9AKDM4ENPC1MEN1MAPT
SCHEMBL11770131 0.82 CLK1 (0.57) RAB9AKDM4ENPC1MEN1MAPT
SCHEMBL2636076 0.82 KDM4E (0.55) RAB9AKDM4ENPC1MEN1MAPT
SCHEMBL19262077 0.81 TRPV1 (0.42) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL16589786 0.80 NPC1 (0.46) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL10982158 0.77 CA2 (0.59) RAB9AKDM4ENPC1MEN1MAPT
SCHEMBL10596662 0.76 RAB9A (0.65) RAB9AKDM4ENPC1MEN1MAPT
SCHEMBL10134030 0.75 KMT2A (0.37) RAB9AKDM4ENPC1MAPTKMT2A
SCHEMBL12039940 0.74 LDHA (0.53) RAB9AKDM4ENPC1MEN1MAPT

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 RAB9A 3963/4885KDM4E 3294/4885NPC1 212/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 RAB9A 3963/4885KDM4E 3294/4885NPC1 212/4885

“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.