SCHEMBL3485449

SCHEMBL3485449

NC(=S)NCCCn1ccnc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
HSD17B10 Q99714 1/20 0.71
CA12 O43570 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA9 Q16790 1/20 0.69
QPCT Q16769 15/20 0.68
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL16450872 0.83 QPCT (0.72) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10
SCHEMBL10310206 0.83 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10
SCHEMBL4823052 0.83 L3MBTL1 (0.66) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10
SCHEMBL77540 0.81 QPCT (1.00) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10
SCHEMBL16449777 0.80 QPCT (0.70) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10
SCHEMBL10219887 0.80 QPCT (0.89) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10
SCHEMBL13655177 0.79 SMN1; SMN2 (0.72) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10
SCHEMBL18544251 0.79 L3MBTL1 (0.69) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10
SCHEMBL18317579 0.78 L3MBTL1 (0.68) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10
SCHEMBL6398857 0.78 L3MBTL1 (0.68) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-8889709-B2 Use of isoQC inhibitors in the treatment and prevention of inflammatory diseases or conditions PROBIODRUG AG (DE) 2014-11-18 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8647834-B2 Screening method for enzyme inhibitors PROBIODRUG AG (DE) 2014-02-11 US disclosed
US-20120183974-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-07-19 US disclosed
US-20100125086-A1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2010-05-20 US disclosed
US-20100009337-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2010-01-14 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-09 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 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 (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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB CYP1A2 2522/4885CYP3A4 1675/4885CYP2D6 2940/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC CYP1A2 2078/4885CYP3A4 1474/4885CYP2D6 3205/4885
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE QPCT, QPCTL, GLUL CYP1A2 4269/4885CYP3A4 3923/4885CYP2D6 3541/4885
US-20100125086-A1 USE OF ISOQC INHIBITORS QPCT, QPCTL, GGCT CYP1A2 4542/4885CYP3A4 4514/4885CYP2D6 3526/4885

“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.