SCHEMBL691978

SCHEMBL691978

COc1ccccc1-c1nc(Nc2ccccc2)s[n+]1-c1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.48
PHOSPHO1 Q8TCT1 1/20 0.47
VCP P55072 1/20 0.46
HPGDS O60760 1/20 0.46
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C19 P33261 4/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
GSK3B P49841 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
EGFR P00533 1/20 0.39
PTGS2 P35354 1/20 0.39
STK10 O94804 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
Bromide SCHEMBL4800288 0.99 PHOSPHO1 (0.49) FSCN1PHOSPHO1VCPHPGDSCYP1A2
SCHEMBL691993 0.92 VCP (0.46) FSCN1PHOSPHO1VCPHPGDSCYP1A2
SCHEMBL691886 0.88 MAPT (0.47) VCPLMNAALOX15HSD17B10MEN1
SCHEMBL691991 0.82 FSCN1 (0.54) FSCN1PHOSPHO1LMNAMEN1KMT2A
SCHEMBL692310 0.82 FSCN1 (0.54) FSCN1PHOSPHO1VCPHPGDSLMNA
SCHEMBL693068 0.75 FSCN1 (0.45) FSCN1PHOSPHO1LMNAMEN1KMT2A
SCHEMBL19219203 0.66 CDK9 (0.57) VCPHPGDSCYP1A2CYP3A4CYP2D6
SCHEMBL12632697 0.65 FSCN1 (1.00) FSCN1PHOSPHO1LMNAMEN1KMT2A
SCHEMBL21670529 0.64 CYP1A2 (0.49) VCPHPGDSCYP1A2CYP3A4CYP2D6
SCHEMBL12297184 0.64 VCP (0.79) VCPHPGDSCYP1A2LMNAHSD17B10

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210868-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES JANSSEN PHARMACEUTICAL, INC. (US) 2013-08-15 US claimed
US-8501791-B2 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators ORTHO-MCNEIL PHARAMACEUTICAL, INC. (US) 2013-08-06 US claimed
EP-2421521-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES Janssen Pharmaceuticals, Inc. (US) 2012-02-29 EP claimed
US-20100280079-A1 0NOVEL, 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS EISINGER MAGDALENA 2010-11-04 US claimed
WO-2010124175-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2010-10-28 WO claimed
US-20100273838-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES Janssen Pharmaceuticals, Inc. 2010-10-28 US claimed
US-20090203751-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators EISINGER MAGDALENA EISINGER 2009-08-13 US claimed
US-7319107-B2 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2008-01-15 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-20130203823-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES JANSSEN PHARMACEUTICAL, INC. (US) 2013-08-08 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 3808/4885VCP 3685/4885
US-20030162819-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R FSCN1 2848/4885PHOSPHO1 3651/4885VCP 3429/4885
US-20060030604-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R FSCN1 2848/4885PHOSPHO1 3651/4885VCP 3429/4885
US-20130203823-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R FSCN1 4129/4885PHOSPHO1 1638/4885VCP 4323/4885
US-20100280079-A1 0NOVEL, 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS MC1R, MC5R, MC3R FSCN1 2652/4885PHOSPHO1 2288/4885VCP 3511/4885
US-20130210868-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R FSCN1 4129/4885PHOSPHO1 1638/4885VCP 4323/4885
US-20100273838-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R FSCN1 4129/4885PHOSPHO1 1638/4885VCP 4323/4885
US-20090203751-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R FSCN1 2848/4885PHOSPHO1 3651/4885VCP 3429/4885

“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.