SCHEMBL4876699

SCHEMBL4876699

CC(=O)NCCc1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
HSD17B10 Q99714 1/20 0.52
F13A1 P00488 1/20 0.51
AOC3 Q16853 2/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
POLB P06746 3/20 0.50
HRH2 P25021 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
GAA P10253 1/20 0.48
NOS1 P29475 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ROCK2 O75116 1/20 0.46

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
Hydrochloric Acid SCHEMBL4870688 0.99 AOC3 (0.52) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL4582523 0.88 ALDH1A1 (0.56) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL6331116 0.83 NPC1 (0.58) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8152325 0.83 LTA4H (0.52) LTA4HALDH1A1KDM4EMEN1KMT2A
Bromide SCHEMBL8146099 0.82 LTA4H (0.51) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL8148068 0.81 LTA4H (0.58) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL8146339 0.80 ALDH1A1 (0.51) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL3278932 0.79 NPC1 (0.56) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL10519209 0.77 ALDH1A1 (0.76) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4987302 0.77 AOC3 (0.65) ALDH1A1MEN1KMT2AMAPTHSD17B10

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 12 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-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-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 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 (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 LTA4H 921/4885ALDH1A1 927/4885KDM4E 3439/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 LTA4H 2428/4885ALDH1A1 930/4885KDM4E 3386/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 LTA4H 750/4885ALDH1A1 260/4885KDM4E 2818/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 LTA4H 2428/4885ALDH1A1 930/4885KDM4E 3386/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB LTA4H 3145/4885ALDH1A1 1690/4885KDM4E 4108/4885

“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.