SCHEMBL1465824

SCHEMBL1465824

[NH]C(=S)Nc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 1/20 0.53
NAMPT P43490 1/20 0.51
HPGD P15428 1/20 0.51
BCL6 P41182 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL15510403 0.83 MAPT (0.74) MAPTPKMKDM4ELMNAALDH1A1
SCHEMBL29972743 0.80 ALDH1A1 (0.57) ATG4BMAPTPKMNPC1RAB9A
SCHEMBL223763 0.80 ATG4B (0.56) ATG4BMAPTPKMNPC1RAB9A
SCHEMBL805874 0.80 LMNA (0.57) ATG4BMAPTPKMNPC1RAB9A
SCHEMBL569878 0.80 RAB9A (0.65) MAPTPKMNPC1RAB9AKDM4E
SCHEMBL525722 0.80 ALDH1A1 (0.57) ATG4BMAPTPKMNPC1RAB9A
SCHEMBL11186307 0.78 PKM (0.69) MAPTPKMNPC1RAB9AKDM4E
SCHEMBL23220314 0.77 MAPT (0.61) MAPTPKMKDM4EALDH1A1KMT2A
SCHEMBL9383012 0.77 PKM (0.56) ATG4BMAPTPKMNPC1RAB9A
SCHEMBL14031230 0.77 MAPT (0.61) MAPTPKMKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494815-B2 Method and apparatus for analyzing compounds with amino group AJINOMOTO CO., INC. (JP) 2009-02-24 US claimed
US-20070269899-A1 METHOD AND APPARATUS FOR ANALYZING COMPOUNDS WITH AMINO GROUP AJINOMOTO CO. INC. (JP) 2007-11-22 US claimed
EP-1750126-A1 METHOD AND APPARATUS FOR ANALYZING AMINOFUNCTIONAL COMPOUND Ajinomoto Co., Inc. (JP) 2007-02-07 EP claimed
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
EP-2254863-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-01 EP disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 WO disclosed
US-7494815-B2 Method and apparatus for analyzing compounds with amino group AJINOMOTO CO., INC. (JP) 2009-02-24 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
US-20070269899-A1 METHOD AND APPARATUS FOR ANALYZING COMPOUNDS WITH AMINO GROUP AJINOMOTO CO. INC. (JP) 2007-11-22 US disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO disclosed
EP-1750126-A1 METHOD AND APPARATUS FOR ANALYZING AMINOFUNCTIONAL COMPOUND Ajinomoto Co., Inc. (JP) 2007-02-07 EP 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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds DDT, PRDX4, CYP4X1 ATG4B 940/4885MAPT 4341/4885PKM 566/4885
US-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 ATG4B 4564/4885MAPT 156/4885PKM 215/4885

“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.