SCHEMBL589427

SCHEMBL589427

CCOC(=O)c1cc2ccc(C)nc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
GAA P10253 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
KDM4E B2RXH2 7/20 0.46
HPGD P15428 1/20 0.45
MIF P14174 1/20 0.44
PFKFB3 Q16875 1/20 0.44
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL16790820 0.87 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL30436104 0.81 ALOX15 (0.56) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL14208295 0.81 ALOX15 (0.56) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL253780 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL31229683 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL10323118 0.80 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL590057 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL20589469 0.78 SYK (0.52) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL10322742 0.76 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL31422797 0.76 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNAMAPTKMT2A

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
US-9315499-B2 Cytomegalovirus inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-20150158861-A1 CYTOMEGALOVIRUS INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-11 US disclosed
US-8450243-B2 Herbicidal quinoline and 1,8-naphthyridine compounds SYNGENTA LIMITED (GB) 2013-05-28 US disclosed
EP-2417132-B1 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS SYNGENTA LTD (GB) 2013-04-17 EP disclosed
US-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2012-04-19 US disclosed
EP-2417132-A2 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS Syngenta Limited (GB) 2012-02-15 EP disclosed
WO-2010116122-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-10-14 WO 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 (2 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-20150158861-A1 CYTOMEGALOVIRUS INHIBITOR COMPOUNDS CCNT1, CDKN1A, FOXM1 ALDH1A1 3564/4885L3MBTL1 1216/4885LMNA 3610/4885
US-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS NQO2, QDPR, CYP4X1 ALDH1A1 746/4885L3MBTL1 2891/4885LMNA 4058/4885

“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.