SCHEMBL1200586

SCHEMBL1200586

O=C(O)c1c[nH]c2cc3c(cc2c1=O)OCCO3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
ALDH1A1 P00352 4/20 0.71
RAB9A P51151 2/20 0.71
LMNA P02545 2/20 0.71
TP53 P04637 2/20 0.71
NPC1 O15118 1/20 0.62
HPGD P15428 4/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 2/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45

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
SCHEMBL9319102 0.91 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1RAB9ALMNATP53
SCHEMBL17417665 0.91 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1RAB9ALMNATP53
SCHEMBL9319718 0.76 KDM4E (0.59) SMN1; SMN2ALDH1A1HPGDKDM4EHTT
SCHEMBL12877370 0.75 RAB9A (0.44) SMN1; SMN2ALDH1A1RAB9ALMNATP53
SCHEMBL2978428 0.74 KDM4E (0.67) SMN1; SMN2ALDH1A1HPGDKDM4EHTT
SCHEMBL10697569 0.73 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1RAB9ALMNATP53
SCHEMBL29415457 0.73 KDM4E (0.56) SMN1; SMN2ALDH1A1HPGDKDM4EHTT
SCHEMBL2807362 0.73 KDM4E (0.56) SMN1; SMN2ALDH1A1HPGDKDM4EHTT
SCHEMBL7002487 0.73 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1RAB9ALMNATP53
SCHEMBL11221002 0.72 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1RAB9ALMNATP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046142-A1 ANTIBIOTIC COMPOUNDS NORTHEASTERN UNIVERSITY (US) 2011-02-24 US disclosed
EP-2167074-A2 ANTIBIOTIC COMPOUNDS NorthEastern University (US) 2010-03-31 EP disclosed
WO-2008156610-A2 ANTIBIOTIC COMPOUNDS NORTHEASTERN UNIVERSITY (US) 2008-12-24 WO disclosed
US-5019570-A Antibioics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-28 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 (1 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-20110046142-A1 ANTIBIOTIC COMPOUNDS AADAC, SPOUT1, NRDC SMN1; SMN2 4615/4885ALDH1A1 1513/4885RAB9A 986/4885

“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.