SCHEMBL4877976

SCHEMBL4877976

CC(=O)Nc1nc(/C=C/c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
POLB P06746 3/20 0.44
DYRK1A Q13627 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALOX12 P18054 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 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
SCHEMBL4877984 1.00 MAPT (0.48) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL4882200 1.00 MAPT (0.48) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL4875352 0.85 RAB9A (0.62) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL3932546 0.85 RAB9A (0.62) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL3932557 0.85 RAB9A (0.62) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL4863816 0.83 RAB9A (0.52) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL4863810 0.83 RAB9A (0.52) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL974414 0.78 KDM4E (0.56) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL974413 0.78 KDM4E (0.56) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL3933787 0.78 MEN1 (0.50) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1

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 13 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
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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP 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
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 WO 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 (6 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 MAPT 430/4885SMN1; SMN2 3771/4885RAB9A 2149/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPT 320/4885SMN1; SMN2 966/4885RAB9A 1860/4885
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA MAPT 1178/4885SMN1; SMN2 2277/4885RAB9A 2176/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 MAPT 670/4885SMN1; SMN2 3587/4885RAB9A 3012/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPT 320/4885SMN1; SMN2 966/4885RAB9A 1860/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB MAPT 1121/4885SMN1; SMN2 1570/4885RAB9A 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.