SCHEMBL692310

SCHEMBL692310

COc1ccccc1-[n+]1sc(Nc2ccc(C)cc2)nc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 3/20 0.54
PHOSPHO1 Q8TCT1 3/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
EP300 Q09472 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
G6PD P11413 1/20 0.50
PKM P14618 1/20 0.50
ALOX12 P18054 1/20 0.50
MPI P34949 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL691991 0.91 FSCN1 (0.54) FSCN1PHOSPHO1MEN1KMT2AEP300
SCHEMBL691993 0.88 VCP (0.46) FSCN1PHOSPHO1MEN1KMT2AEP300
SCHEMBL693068 0.84 FSCN1 (0.45) FSCN1PHOSPHO1MEN1KMT2AEP300
SCHEMBL691978 0.82 FSCN1 (0.48) FSCN1PHOSPHO1MEN1KMT2AALDH1A1
SCHEMBL13865694 0.81 FSCN1 (0.64) FSCN1PHOSPHO1MEN1KMT2AEP300
Bromide SCHEMBL4800288 0.81 PHOSPHO1 (0.49) FSCN1PHOSPHO1MEN1KMT2AALDH1A1
SCHEMBL12632697 0.71 FSCN1 (1.00) FSCN1PHOSPHO1MEN1KMT2AEP300
SCHEMBL15625676 0.67 FSCN1 (0.65) FSCN1PHOSPHO1MEN1KMT2AEP300
SCHEMBL10480096 0.63 MAPT (0.71) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL6264546 0.63 AGPAT2 (0.50) ALDH1A1LMNAGAAMAPTRAB9A

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 32 patents — showing the first 20. 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
US-8501791-B2 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators ORTHO-MCNEIL PHARAMACEUTICAL, INC. (US) 2013-08-06 US disclosed
US-8501791-B2 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators ORTHO-MCNEIL PHARAMACEUTICAL, INC. (US) 2013-08-06 US disclosed
EP-2421521-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES Janssen Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-20100280079-A1 0NOVEL, 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS EISINGER MAGDALENA 2010-11-04 US disclosed
EP-1444215-B1 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-07-19 EP disclosed
US-20060128772-A1 Novel 1,2,4-thiadiazole derivatives as melanocortin receptor modulators EISINGER MAGDALENA 2006-06-15 US disclosed
US-7049331-B2 1,2,4-thiadiazole derivatives as melanocortin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-05-23 US disclosed
US-20060030604-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators ELSINGER MAGDALENA 2006-02-09 US disclosed
US-20030176425-A1 Novel 1,2,4-thiadiazole derivatives as melanocortin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-18 US disclosed
US-20030162819-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-08-28 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 (8 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-20030176425-A1 Novel 1,2,4-thiadiazole derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R FSCN1 2870/4885PHOSPHO1 3808/4885MEN1 1380/4885
US-20030162819-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R FSCN1 2848/4885PHOSPHO1 3651/4885MEN1 1967/4885
US-20060030604-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R FSCN1 2848/4885PHOSPHO1 3651/4885MEN1 1967/4885
US-20130203823-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R FSCN1 4129/4885PHOSPHO1 1638/4885MEN1 2282/4885
US-20100280079-A1 0NOVEL, 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS MC1R, MC5R, MC3R FSCN1 2652/4885PHOSPHO1 2288/4885MEN1 2019/4885
US-20130210868-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R FSCN1 4129/4885PHOSPHO1 1638/4885MEN1 2282/4885
US-20060128772-A1 Novel 1,2,4-thiadiazole derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R FSCN1 2870/4885PHOSPHO1 3808/4885MEN1 1380/4885
US-20090203751-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R FSCN1 2848/4885PHOSPHO1 3651/4885MEN1 1967/4885

“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.