SCHEMBL4874760

SCHEMBL4874760

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(-c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.49
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.41
PIK3CG P48736 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
XIAP P98170 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 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
SCHEMBL5670156 0.89 AOC3 (0.65) AOC3PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4873888 0.85 AOC3 (0.64) AOC3MAPTPOLBRAB9AXIAP
SCHEMBL4867257 0.85 AOC3 (0.43) AOC3MEN1KMT2AMAPTPOLB
SCHEMBL5669831 0.85 AOC3 (0.43) AOC3MAPTPOLBRAB9A
SCHEMBL4871194 0.84 ALDH1A1 (0.44) AOC3MEN1KMT2AMAPTALDH1A1
SCHEMBL3933638 0.82 AOC3 (0.50) AOC3
SCHEMBL5670972 0.82 AOC3 (0.43) AOC3MEN1KMT2A
SCHEMBL4985661 0.82 AOC3 (0.46) AOC3MEN1KMT2AMAPTALDH1A1
SCHEMBL4992515 0.82 SCD (0.48) AOC3MEN1KMT2AMAPTALDH1A1
SCHEMBL4874138 0.82 AOC3 (0.57) AOC3MEN1KMT2AMAPTALDH1A1

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 AOC3 782/4885MEN1 2478/4885KMT2A 4395/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885MEN1 2478/4885KMT2A 4395/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885MEN1 3241/4885KMT2A 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.