SCHEMBL693068

SCHEMBL693068

COc1ccccc1-[n+]1sc(Nc2ccccc2C)nc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 3/20 0.45
PHOSPHO1 Q8TCT1 3/20 0.44
EP300 Q09472 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
MPI P34949 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SLC2A1 P11166 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL692310 0.84 FSCN1 (0.54) FSCN1PHOSPHO1EP300ALDH1A1MEN1
SCHEMBL691991 0.81 FSCN1 (0.54) FSCN1PHOSPHO1EP300ALDH1A1MEN1
SCHEMBL13865655 0.81 FSCN1 (0.63) FSCN1PHOSPHO1EP300ALDH1A1MEN1
SCHEMBL691886 0.80 MAPT (0.47) ALDH1A1MEN1LMNAPKMKMT2A
SCHEMBL691978 0.75 FSCN1 (0.48) FSCN1PHOSPHO1ALDH1A1MEN1LMNA
Bromide SCHEMBL4800288 0.74 PHOSPHO1 (0.49) FSCN1PHOSPHO1ALDH1A1MEN1LMNA
SCHEMBL5451204 0.65 MAPT (0.58) ALDH1A1LMNAKMT2AGAAMAPT
SCHEMBL13865694 0.65 FSCN1 (0.64) FSCN1PHOSPHO1EP300ALDH1A1MEN1
SCHEMBL1823412 0.62 RAB9A (0.75) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL3406539 0.62 ALOX5 (0.81) ALDH1A1MEN1PKMKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501791-B2 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators ORTHO-MCNEIL PHARAMACEUTICAL, INC. (US) 2013-08-06 US claimed
US-20100280079-A1 0NOVEL, 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS EISINGER MAGDALENA 2010-11-04 US claimed
US-20090203751-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators EISINGER MAGDALENA EISINGER 2009-08-13 US claimed
EP-1444215-B1 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-07-19 EP claimed
US-20060030604-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators ELSINGER MAGDALENA 2006-02-09 US claimed
EP-1444215-A1 NOVEL 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical Corp. (US) 2004-08-11 EP claimed
US-20030162819-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-08-28 US claimed
WO-2003040118-A1 NOVEL 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-05-15 WO claimed
US-20130210868-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES JANSSEN PHARMACEUTICAL, INC. (US) 2013-08-15 US disclosed
US-20130203823-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES JANSSEN PHARMACEUTICAL, INC. (US) 2013-08-08 US disclosed
EP-2421521-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES Janssen Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-20100273838-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES Janssen Pharmaceuticals, Inc. 2010-10-28 US disclosed
WO-2010124175-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2010-10-28 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 (7 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-20030162819-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R FSCN1 2848/4885PHOSPHO1 3651/4885EP300 355/4885
US-20060030604-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R FSCN1 2848/4885PHOSPHO1 3651/4885EP300 355/4885
US-20130203823-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R FSCN1 4129/4885PHOSPHO1 1638/4885EP300 3424/4885
US-20100280079-A1 0NOVEL, 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS MC1R, MC5R, MC3R FSCN1 2652/4885PHOSPHO1 2288/4885EP300 745/4885
US-20130210868-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R FSCN1 4129/4885PHOSPHO1 1638/4885EP300 3424/4885
US-20100273838-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R FSCN1 4129/4885PHOSPHO1 1638/4885EP300 3424/4885
US-20090203751-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R FSCN1 2848/4885PHOSPHO1 3651/4885EP300 355/4885

“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.