SCHEMBL4870731

SCHEMBL4870731

O=C(Nc1nc(/C=C/c2ccc([N+](=O)[O-])cc2)cs1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
MAPT P10636 3/20 0.43
ADORA3 P0DMS8 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL4870736 1.00 MAPK1 (0.45) MAPK1MAPTADORA3MEN1KMT2A
SCHEMBL28758578 0.91 MAPT (0.42) MAPK1MAPTADORA3MEN1KMT2A
SCHEMBL4873597 0.86 MAPT (0.49) MAPK1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4873601 0.86 MAPT (0.49) MAPK1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4870599 0.81 ADORA3 (0.59) MAPK1MAPTADORA3MEN1KMT2A
SCHEMBL4870606 0.81 ADORA3 (0.59) MAPK1MAPTADORA3MEN1KMT2A
SCHEMBL3932546 0.79 RAB9A (0.62) MAPK1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3932557 0.79 RAB9A (0.62) MAPK1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4875352 0.79 RAB9A (0.62) MAPK1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4869520 0.79 MAPK1 (0.55) MAPK1MAPTSMN1; SMN2NPC1RAB9A

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 MAPK1 714/4885MAPT 430/4885ADORA3 4342/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPK1 142/4885MAPT 320/4885ADORA3 4409/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 MAPK1 822/4885MAPT 670/4885ADORA3 4036/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPK1 142/4885MAPT 320/4885ADORA3 4409/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB MAPK1 139/4885MAPT 1121/4885ADORA3 4660/4885

“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.