SCHEMBL4875810

SCHEMBL4875810

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(C(=O)NCCCN2CCOCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
PIK3CG P48736 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
JAK2 O60674 1/20 0.40
TACR2 P21452 3/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 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
SCHEMBL4874627 0.90 ALDH1A1 (0.39) LMNAGAAALDH1A1PIK3CGKMT2A
SCHEMBL4989664 0.86 MAPT (0.42) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL4876201 0.86 RAB9A (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL14019592 0.85 GAA (0.46) LMNAGAAALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL4875872 0.85 GAA (0.46) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL4875954 0.84 AOC3 (0.40) PIK3CGMEN1KMT2A
SCHEMBL4990497 0.84 AOC3 (0.37) SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL4872003 0.83 POLB (0.36) LMNAGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL4871739 0.83 AOC3 (0.36) MEN1KMT2A
SCHEMBL4865659 0.82 AOC3 (0.43) LMNAALDH1A1SMN1; SMN2MAPTPIK3CG

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 7 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-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
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US 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 (4 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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 LMNA 2047/4885GAA 4431/4885ALDH1A1 930/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 LMNA 3576/4885GAA 2111/4885ALDH1A1 260/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 LMNA 2047/4885GAA 4431/4885ALDH1A1 930/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB LMNA 2355/4885GAA 3775/4885ALDH1A1 1690/4885

“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.