Sugi Predict

Sugi Predict / Compounds / SCHEMBL691886

SCHEMBL691886

SCHEMBL691886

COc1ccccc1Nc1nc(-c2ccccc2OC)[n+](-c2ccccc2OC)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.47
▸ ALDH1A1 P00352 8/20 0.47
▸ GAA P10253 6/20 0.47
▸ HPGD P15428 2/20 0.47
▸ POLB P06746 4/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42

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
SCHEMBL691978 0.88 FSCN1 (0.48) ALDH1A1ALOX15HSD17B10KMT2AMEN1
Bromide SCHEMBL4800288 0.86 PHOSPHO1 (0.49) ALDH1A1ALOX15HSD17B10KMT2AMEN1
SCHEMBL691993 0.84 VCP (0.46) MAPTALDH1A1HPGDPOLBALOX15
SCHEMBL693068 0.80 FSCN1 (0.45) MAPTALDH1A1GAAHPGDPOLB
SCHEMBL13865655 0.76 FSCN1 (0.63) MAPTALDH1A1GAAHPGDPOLB
SCHEMBL692310 0.72 FSCN1 (0.54) MAPTALDH1A1GAAHPGDHTT
SCHEMBL691991 0.72 FSCN1 (0.54) MAPTALDH1A1GAAHPGDPOLB
SCHEMBL3191755 0.65 MAPT (0.69) MAPTALDH1A1GAAHPGDPOLB
SCHEMBL11813903 0.65 MAPT (0.83) MAPTALDH1A1GAAHPGDPOLB
SCHEMBL34463214 0.64 ALDH1A1 (0.54) MAPTALDH1A1GAAHPGDPOLB

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 14 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
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
EP-2421521-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES Janssen Pharmaceuticals, Inc. (US) 2012-02-29 — — EP disclosed
WO-2010124175-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2010-10-28 — — WO disclosed
US-20100273838-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES Janssen Pharmaceuticals, Inc. 2010-10-28 — — 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 (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 MAPT 1231/4885ALDH1A1 945/4885GAA 4481/4885
US-20060030604-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R MAPT 1231/4885ALDH1A1 945/4885GAA 4481/4885
US-20130203823-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R MAPT 1438/4885ALDH1A1 1218/4885GAA 3923/4885
US-20100280079-A1 0NOVEL, 1,2,4-THIADIAZOLIUM DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS MC1R, MC5R, MC3R MAPT 1042/4885ALDH1A1 783/4885GAA 4305/4885
US-20130210868-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R MAPT 1438/4885ALDH1A1 1218/4885GAA 3923/4885
US-20100273838-A1 STABLE TOPICAL COMPOSITIONS FOR 1,2,4-THIADIAZOLE DERIVATIVES MC1R, MC5R, MC4R MAPT 1438/4885ALDH1A1 1218/4885GAA 3923/4885
US-20090203751-A1 Novel 1,2,4-thiadiazolium derivatives as melanocortin receptor modulators MC1R, MC5R, MC3R MAPT 1231/4885ALDH1A1 945/4885GAA 4481/4885

“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.