SCHEMBL3452385

SCHEMBL3452385

CC(C)c1ccc(-c2csc(NCc3cccs3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 11/20 0.48
ALDH1A1 P00352 10/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX12 P18054 2/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.46
TP53 P04637 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 3/20 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
SCHEMBL3451432 0.88 KDM4E (0.51) LMNAKDM4EMAPK1HTTMAPT
SCHEMBL3515547 0.84 MAPT (0.62) LMNAKDM4EMAPK1HTTMAPT
SCHEMBL11370093 0.83 LMNA (0.60) LMNAKDM4EMAPK1HTTMAPT
Bromide SCHEMBL11373572 0.83 MAPT (0.61) LMNAKDM4EMAPK1HTTMAPT
Hydrochloric Acid SCHEMBL11366798 0.82 LMNA (0.58) LMNAKDM4EMAPK1HTTMAPT
SCHEMBL3452768 0.80 LMNA (0.75) LMNAKDM4EMAPK1HTTMAPT
SCHEMBL3451695 0.79 ALDH1A1 (0.50) LMNAKDM4EMAPK1HTTMAPT
SCHEMBL3452382 0.79 USP1 (0.56) LMNAKDM4EMAPK1HTTMAPT
SCHEMBL14849565 0.75 MAPT (0.63) LMNAKDM4EHTTMAPTALDH1A1
SCHEMBL13109402 0.73 KDM1A (0.76) MEN1KMT2ANPC1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
CN-1946703-A Substituted thiazole and pyrimidine derivatives as melanocortin receptor modulators TRANSTECH PHARMA INC (US) 2007-04-11 CN disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 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 (1 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R LMNA 3752/4885KDM4E 2378/4885MAPK1 3533/4885

“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.