SCHEMBL3934201

SCHEMBL3934201

CC(=O)Nc1nc(/C=C\c2ccc([N+](=O)[O-])cc2)c(Cc2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.50
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
POLB P06746 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
DYRK1A Q13627 1/20 0.41
MAPT P10636 4/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.40
CDC25B P30305 1/20 0.40
DUSP3 P51452 1/20 0.40
PLTP P55058 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL3934206 1.00 AOC3 (0.50) AOC3KMT2AMEN1POLBRAB9A
SCHEMBL3941424 0.90 AOC3 (0.49) AOC3KMT2AMEN1RAB9ADYRK1A
SCHEMBL3939278 0.90 AOC3 (0.49) AOC3KMT2AMEN1RAB9ADYRK1A
SCHEMBL3939275 0.90 AOC3 (0.49) AOC3KMT2AMEN1RAB9ADYRK1A
SCHEMBL3934393 0.86 CSNK2A2 (0.47) AOC3KMT2AMEN1POLBRAB9A
SCHEMBL3934386 0.86 CSNK2A2 (0.47) AOC3KMT2AMEN1POLBRAB9A
SCHEMBL3934883 0.85 DYRK1A (0.42) AOC3KMT2AMEN1POLBRAB9A
SCHEMBL3934876 0.85 DYRK1A (0.42) AOC3KMT2AMEN1POLBRAB9A
SCHEMBL3936614 0.85 DYRK1A (0.42) AOC3KMT2AMEN1POLBRAB9A
SCHEMBL4876040 0.85 RORC (0.45) AOC3KMT2AMEN1RAB9ADYRK1A

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 15 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
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
CN-101031555-A Thiazole derivative capable of vap-1 inhibitory activity ASTELLAS PHARMA INC (JP) 2007-09-05 CN disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 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-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 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 AOC3 202/4885KMT2A 4255/4885MEN1 3711/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885KMT2A 4395/4885MEN1 2478/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885KMT2A 3324/4885MEN1 3836/4885
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 386/4885KMT2A 4562/4885MEN1 3203/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885KMT2A 4395/4885MEN1 2478/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885KMT2A 4570/4885MEN1 3241/4885

“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.