SCHEMBL4869424

SCHEMBL4869424

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.65
MAOB P27338 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL3931009 0.93 AOC3 (0.61) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4990368 0.87 AOC3 (0.67) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3934843 0.87 AOC3 (0.60) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4874675 0.86 AOC3 (0.63) AOC3SMN1; SMN2NPC1RAB9A
SCHEMBL6259385 0.84 AOC3 (0.60) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL6258807 0.84 AOC3 (0.65) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL27634179 0.83 AOC3 (0.74) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL27646788 0.82 AOC3 (0.66) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL8430108 0.81 AOC3 (0.76) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4871898 0.81 AOC3 (0.71) AOC3MAOBSMN1; SMN2KMT2ANPC1

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 AOC3 782/4885MAOB 4191/4885SMN1; SMN2 966/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885MAOB 1422/4885SMN1; SMN2 3587/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885MAOB 4191/4885SMN1; SMN2 966/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885MAOB 4111/4885SMN1; 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.