SCHEMBL4870599

SCHEMBL4870599

O=C(Nc1nc(/C=C/c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.59
SNCA P37840 3/20 0.58
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 2/20 0.51
MITF O75030 1/20 0.51
SCD O00767 1/20 0.50
MMP13 P45452 1/20 0.50
BCHE P06276 1/20 0.49
MAOB P27338 1/20 0.49
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL4870606 1.00 ADORA3 (0.59) ADORA3SNCAMAPTMEN1KMT2A
SCHEMBL3932557 0.84 RAB9A (0.62) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL3932546 0.84 RAB9A (0.62) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4875352 0.84 RAB9A (0.62) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4870736 0.81 MAPK1 (0.45) ADORA3MAPTMEN1KMT2AHTT
SCHEMBL4870731 0.81 MAPK1 (0.45) ADORA3MAPTMEN1KMT2AHTT
SCHEMBL4875125 0.81 LMNA (0.65) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4875135 0.81 LMNA (0.65) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4873601 0.78 MAPT (0.49) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL4873597 0.78 MAPT (0.49) MAPTMEN1KMT2AALDH1A1NPC1

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 ADORA3 4342/4885SNCA 2420/4885MAPT 430/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 ADORA3 4409/4885SNCA 1963/4885MAPT 320/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 ADORA3 4036/4885SNCA 3262/4885MAPT 670/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 ADORA3 4409/4885SNCA 1963/4885MAPT 320/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB ADORA3 4660/4885SNCA 1563/4885MAPT 1121/4885

“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.