SCHEMBL4867265

SCHEMBL4867265

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 1/20 0.48
APP P05067 1/20 0.47
FBP1 P09467 1/20 0.46
PTGS2 P35354 4/20 0.45
PTGS1 P23219 2/20 0.45
CYP19A1 P11511 1/20 0.45
PIM1 P11309 1/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4867275 1.00 MAPT (0.56) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL7239055 0.76 GRM4 (0.53) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7239050 0.76 GRM4 (0.53) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3932546 0.75 RAB9A (0.62) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL4875352 0.75 RAB9A (0.62) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL3932557 0.75 RAB9A (0.62) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL458178 0.75 APP (0.78) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL14947048 0.75 APP (0.78) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL458177 0.75 APP (0.78) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL9170800 0.75 APP (0.78) MAPTRAB9ANPC1SMN1; SMN2MAPK1

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-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
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

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 MAPT 430/4885RAB9A 2149/4885NPC1 549/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPT 320/4885RAB9A 1860/4885NPC1 476/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 MAPT 670/4885RAB9A 3012/4885NPC1 466/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPT 320/4885RAB9A 1860/4885NPC1 476/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB MAPT 1121/4885RAB9A 340/4885NPC1 324/4885

“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.