SCHEMBL4874973

SCHEMBL4874973

CSc1ccc(-c2sc(N)nc2-c2ccc(CO)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 3/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
XBP1 P17861 1/20 0.54
FBP1 P09467 4/20 0.53
ALDH1A1 P00352 8/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 2/20 0.48
GAA P10253 2/20 0.48
CYP2C9 P11712 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL6386604 0.90 MAPT (0.51) MAPTKDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL16682293 0.83 ALDH1A1 (0.73) MAPTKDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL27634198 0.81 MAPT (0.56) MAPTKDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL6386608 0.80 MAPT (0.52) MAPTKDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL4870686 0.77 MYC (0.58) MAPTKDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL564610 0.72 SLC6A4 (0.52) MAPTCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL25352230 0.71 MAPT (1.00) MAPTKDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL5045105 0.70 SMN1; SMN2 (0.61) MAPTKDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL11747714 0.70 FBP1 (0.43) MAPTKDM4ESMN1; SMN2MAPK1LMNA
SCHEMBL11756623 0.70 MAPT (0.41) MAPTKDM4ESMN1; SMN2MAPK1LMNA

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 MAPT 430/4885KDM4E 3439/4885SMN1; SMN2 3771/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPT 320/4885KDM4E 3386/4885SMN1; SMN2 966/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 MAPT 670/4885KDM4E 2818/4885SMN1; SMN2 3587/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 MAPT 320/4885KDM4E 3386/4885SMN1; SMN2 966/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB MAPT 1121/4885KDM4E 4108/4885SMN1; SMN2 1570/4885

“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.