SCHEMBL381571

SCHEMBL381571

O=C(O)[C@H](F)Nc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
MAPK1 P28482 1/20 0.49
MDM2 Q00987 1/20 0.48
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
FADS1 O60427 1/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
EGFR P00533 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
KCNK3 O14649 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
SCHEMBL28885515 0.82 MMP2 (0.57) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL11182616 0.82 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11872871 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11069740 0.80 RAB9A (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4448945 0.79 HPGD (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4448947 0.79 HPGD (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL14935761 0.79 CA12 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2029095 0.79 CA12 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
Methane SCHEMBL8701106 0.78 HPGD (0.53) MEN1KMT2AALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL29008073 0.77 CA12 (0.45) MEN1KMT2AALDH1A1LMNAMAPT

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
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP 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
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
EP-2408751-A1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP 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
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 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-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 MEN1 3285/4885KMT2A 2731/4885ALDH1A1 173/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 MEN1 3285/4885KMT2A 2731/4885ALDH1A1 173/4885

“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.