SCHEMBL3446408

SCHEMBL3446408

O=C(O)N[C@@H](CO)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNQ4 P56696 1/20 0.50
KCNQ5 Q9NR82 1/20 0.50
PHGDH O43175 1/20 0.48
MAPK3 P27361 4/20 0.47
DCAF1 Q9Y4B6 1/20 0.46
ACP3 P15309 1/20 0.45
CTSA P10619 1/20 0.44
AURKA O14965 1/20 0.44
CDK2 P24941 1/20 0.44
RIPK1 Q13546 1/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL4596498 1.00 MAPK1 (0.51) MAPK1MEN1KMT2AKCNQ3KCNQ2
SCHEMBL17685984 0.87 MEN1 (0.44) MAPK1MEN1KMT2AKCNQ3KCNQ2
SCHEMBL4598226 0.87 ROCK2 (0.50) MEN1KMT2APHGDHDCAF1ACP3
SCHEMBL14691111 0.87 PHGDH (0.50) MAPK1MEN1KMT2APHGDHDCAF1
SCHEMBL14393701 0.85 MAPK1 (0.47) MAPK1MEN1KMT2AKCNQ3KCNQ2
SCHEMBL29739235 0.85 KCNQ3 (0.49) MAPK1MEN1KMT2AKCNQ3KCNQ2
SCHEMBL29751805 0.85 MAPK1 (0.47) MAPK1MEN1KMT2AKCNQ3KCNQ2
SCHEMBL22077638 0.84 DCAF1 (0.43) MAPK1MEN1KMT2APHGDHDCAF1
SCHEMBL14691522 0.84 PHGDH (0.43) MAPK1MEN1KMT2APHGDHDCAF1
SCHEMBL18162818 0.84 ALDH1A1 (0.51) MAPK1MEN1KMT2AKCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 MAPK1 1329/4885MEN1 3285/4885KMT2A 2731/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 MAPK1 1329/4885MEN1 3285/4885KMT2A 2731/4885

“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.