SCHEMBL4876201

SCHEMBL4876201

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(C(=O)NCCCN2CCCC2=O)s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TYRO3 Q06418 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 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
SCHEMBL4984749 0.86 RAB9A (0.41) RAB9AALDH1A1KMT2AMEN1MAPK1
SCHEMBL4875810 0.86 LMNA (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL14019593 0.85 RAB9A (0.47) RAB9AALDH1A1KMT2AMEN1MAPK1
Hydrochloric Acid SCHEMBL4865269 0.85 RAB9A (0.47) RAB9AALDH1A1KMT2AMEN1MAPK1
SCHEMBL4872003 0.84 POLB (0.36) ALDH1A1KMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL4875954 0.84 AOC3 (0.40) KMT2AMEN1RXFP1
SCHEMBL4990497 0.83 AOC3 (0.37) KMT2AMEN1SMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL6392840 0.83 RAB9A (0.43) RAB9AALDH1A1KMT2AMEN1MAPK1
Carbamic Acid SCHEMBL4876208 0.83 RAB9A (0.42) RAB9AALDH1A1KMT2AMEN1MAPK1
SCHEMBL4871739 0.82 AOC3 (0.36) KMT2AMEN1NPC1

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 6 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-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 (3 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 RAB9A 1860/4885ALDH1A1 930/4885KMT2A 4395/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 RAB9A 1860/4885ALDH1A1 930/4885KMT2A 4395/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB RAB9A 340/4885ALDH1A1 1690/4885KMT2A 4570/4885

“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.