SCHEMBL4863816

SCHEMBL4863816

CC(=O)Nc1nc(C=Cc2cccc([N+](=O)[O-])c2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
MCL1 Q07820 1/20 0.49
NFE2L2 Q16236 2/20 0.48
CYP19A1 P11511 1/20 0.47
SNCA P37840 1/20 0.47
GAA P10253 1/20 0.47
DYRK1A Q13627 1/20 0.46
ALOX5 P09917 1/20 0.46
GLO1 Q04760 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 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
SCHEMBL4863810 1.00 RAB9A (0.52) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL3932546 0.86 RAB9A (0.62) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL3932557 0.86 RAB9A (0.62) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL4875352 0.86 RAB9A (0.62) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL4882200 0.83 MAPT (0.48) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL4877976 0.83 MAPT (0.48) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL4877984 0.83 MAPT (0.48) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL12947792 0.82 ABL1 (0.58) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL972638 0.81 HSD17B10 (0.49) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL972637 0.81 HSD17B10 (0.49) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2

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
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
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

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 RAB9A 2149/4885MEN1 3711/4885KMT2A 4255/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 RAB9A 1860/4885MEN1 2478/4885KMT2A 4395/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 RAB9A 3012/4885MEN1 3836/4885KMT2A 3324/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 RAB9A 1860/4885MEN1 2478/4885KMT2A 4395/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB RAB9A 340/4885MEN1 3241/4885KMT2A 4570/4885

“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.