SCHEMBL168304

SCHEMBL168304

NCC(NC(=O)O)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 12/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.45
NISCH Q9Y2I1 1/20 0.44
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
DCAF1 Q9Y4B6 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
SCHEMBL3447591 0.87 CTSA (0.44) CTSALMNAKMT2AKCNH2SCN5A
SCHEMBL257263 0.87 LMNA (0.55) CTSALMNAMAPTKMT2ANISCH
SCHEMBL3446517 0.85 CTSA (0.48) CTSALMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL11651005 0.84 NISCH (0.45) CTSALMNAMAPTKMT2ANISCH
SCHEMBL3446653 0.81 LMNA (0.51) CTSALMNAMAPTKMT2ADCAF1
SCHEMBL21632030 0.81 CTSA (0.45) CTSALMNAMAPTNISCH
SCHEMBL3448687 0.81 CTSA (0.51) CTSALMNAMAPTKMT2A
SCHEMBL3446638 0.78 CTSA (0.46) CTSALMNAMAPTKMT2A
SCHEMBL3446401 0.78 CTSA (0.44) CTSALMNAMAPT
SCHEMBL3446398 0.78 CTSA (0.44) CTSALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed
CN-102438990-B Substituted 2-acetamido-5-aryl-1, 2, 4-triazolones and use thereof BAYER SCHERING PHARMA AG 2014-08-20 CN disclosed
US-8796324-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
CN-103864704-A Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER SCHERING PHARMA AG 2014-06-18 CN disclosed
EP-2619188-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-31 EP disclosed
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 US disclosed
CN-102438990-A Substituted 2-acetamido-5-aryl-1, 2, 4-triazolones and use thereof BAYER SCHERING PHARMA AG 2012-05-02 CN disclosed
WO-2012028644-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 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 (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-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 CTSA 266/4885LMNA 726/4885MAPT 4612/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 CTSA 266/4885LMNA 726/4885MAPT 4612/4885

“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.