SCHEMBL4875125

SCHEMBL4875125

CC(C)C(=O)Nc1nc(/C=C/c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
RAB9A P51151 5/20 0.47
HTT P42858 3/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 5/20 0.43
POLB P06746 2/20 0.43
BACE1 P56817 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
PIM1 P11309 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4875135 1.00 LMNA (0.65) LMNARAB9AHTTGAAMEN1
SCHEMBL3932557 0.87 RAB9A (0.62) LMNARAB9AHTTGAAMEN1
SCHEMBL3932546 0.87 RAB9A (0.62) LMNARAB9AHTTGAAMEN1
SCHEMBL4875352 0.87 RAB9A (0.62) LMNARAB9AHTTGAAMEN1
SCHEMBL4873601 0.81 MAPT (0.49) LMNARAB9AGAAMEN1KMT2A
SCHEMBL4873597 0.81 MAPT (0.49) LMNARAB9AGAAMEN1KMT2A
SCHEMBL4870606 0.81 ADORA3 (0.59) LMNARAB9AHTTMEN1KMT2A
SCHEMBL4870599 0.81 ADORA3 (0.59) LMNARAB9AHTTMEN1KMT2A
SCHEMBL4870731 0.76 MAPK1 (0.45) RAB9AHTTMEN1KMT2ANPC1
SCHEMBL4870736 0.76 MAPK1 (0.45) RAB9AHTTMEN1KMT2ANPC1

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 14 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-100491361-C Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2009-05-27 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
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
CN-1761655-A Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2006-04-19 CN 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 LMNA 3334/4885RAB9A 2149/4885HTT 1373/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 LMNA 2047/4885RAB9A 1860/4885HTT 990/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 LMNA 3576/4885RAB9A 3012/4885HTT 1616/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 LMNA 2047/4885RAB9A 1860/4885HTT 990/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB LMNA 2355/4885RAB9A 340/4885HTT 1133/4885

“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.