SCHEMBL4870874

SCHEMBL4870874

CC(=O)Nc1nc(/C=C/c2ccc([N+](=O)[O-])cc2)c(Cc2ccc(I)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
DYRK1A Q13627 1/20 0.43
PLTP P55058 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
MAPT P10636 7/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
PTPN1 P18031 1/20 0.38
CDC25B P30305 1/20 0.38
DUSP3 P51452 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL4870880 1.00 CSNK2A2 (0.45) CSNK2A2CSNK2BCSNK2A1DYRK1APLTP
SCHEMBL4878118 1.00 CSNK2A2 (0.45) CSNK2A2CSNK2BCSNK2A1DYRK1APLTP
SCHEMBL3934386 0.90 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1DYRK1APLTP
SCHEMBL3934393 0.90 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1DYRK1APLTP
SCHEMBL3939278 0.89 AOC3 (0.49) CSNK2A2CSNK2BCSNK2A1DYRK1APLTP
SCHEMBL3934530 0.89 AOC3 (0.47) CSNK2A2CSNK2BCSNK2A1DYRK1APLTP
SCHEMBL4876040 0.89 RORC (0.45) CSNK2A2CSNK2BCSNK2A1DYRK1APLTP
SCHEMBL4876043 0.89 RORC (0.45) CSNK2A2CSNK2BCSNK2A1DYRK1APLTP
SCHEMBL3933223 0.89 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1DYRK1APLTP
SCHEMBL3931382 0.89 AOC3 (0.47) CSNK2A2CSNK2BCSNK2A1DYRK1APLTP

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 CSNK2A2 4698/4885CSNK2B 4812/4885CSNK2A1 4672/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CSNK2A2 3188/4885CSNK2B 3390/4885CSNK2A1 2818/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 CSNK2A2 4565/4885CSNK2B 4793/4885CSNK2A1 4566/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CSNK2A2 3188/4885CSNK2B 3390/4885CSNK2A1 2818/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB CSNK2A2 3949/4885CSNK2B 4150/4885CSNK2A1 3616/4885

“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.