SCHEMBL4866814

SCHEMBL4866814

CSc1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
LTA4H P09960 7/20 0.59
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
MAPT P10636 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
KDM4E B2RXH2 3/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
ALOX5 P09917 1/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.55
NOS1 P29475 1/20 0.53
AR P10275 1/20 0.50

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
SCHEMBL1771825 0.84 ALDH1A1 (0.79) ALDH1A1LTA4HRAB9ANPC1MAPT
SCHEMBL23610361 0.82 ALDH1A1 (0.83) ALDH1A1LTA4HRAB9ANPC1MAPT
Iodide SCHEMBL5460898 0.81 LTA4H (0.67) ALDH1A1LTA4HRAB9ANPC1MAPT
SCHEMBL11440336 0.80 ALDH1A1 (0.73) ALDH1A1LTA4HRAB9ANPC1MAPT
Iodide SCHEMBL5458320 0.79 ALDH1A1 (0.71) ALDH1A1LTA4HRAB9ANPC1MAPT
SCHEMBL231094 0.79 LTA4H (0.80) ALDH1A1LTA4HRAB9ANPC1MAPT
SCHEMBL172279 0.78 ALDH1A1 (0.70) ALDH1A1LTA4HRAB9ANPC1MAPT
Iodide SCHEMBL5464610 0.77 LTA4H (0.69) ALDH1A1LTA4HRAB9ANPC1MAPT
Iodide SCHEMBL5461678 0.77 NPC1 (0.82) ALDH1A1LTA4HRAB9ANPC1MAPT
Bromide SCHEMBL8360772 0.77 LTA4H (0.77) ALDH1A1LTA4HRAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
CN-1794988-B Composition for treating vascular hyperpermeable disease SUCAMPO AG 2010-07-28 CN disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
CN-1794988-A Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-06-28 CN disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 WO disclosed
EP-0068033-B1 N-(4-PHENYL-2-THIAZOLYL)CARBAMATE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING SAME MITSUI TOATSU KAGAKU KABUSHIKI KAISHA (JP) 1985-07-10 EP disclosed
US-4511574-A IMMUNOMODULATORS MITSUI TOATSU KAGAKU KABUSHIKI KAISHA (JP) 1985-04-16 US disclosed
EP-0068033-A1 N-(4-PHENYL-2-THIAZOLYL)CARBAMATE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING SAME MITSUI TOATSU KAGAKU KABUSHIKI KAISHA (JP) 1983-01-05 EP disclosed
US-4207233-A Azo dyes containing a thiazole component BASF AKTIENGESELLSCHAFT (DE) 1980-06-10 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 (5 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB ALDH1A1 927/4885LTA4H 921/4885RAB9A 2149/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 ALDH1A1 930/4885LTA4H 2428/4885RAB9A 1860/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 ALDH1A1 260/4885LTA4H 750/4885RAB9A 3012/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 ALDH1A1 930/4885LTA4H 2428/4885RAB9A 1860/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB ALDH1A1 1690/4885LTA4H 3145/4885RAB9A 340/4885

“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.