SCHEMBL3446756

SCHEMBL3446756

O=CNCC(NC(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.43
CES2 O00748 1/20 0.43
PNMT P11086 1/20 0.43
BCHE P06276 3/20 0.42
CTSA P10619 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BACE1 P56817 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A9 P48067 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41

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
SCHEMBL3447393 0.85 SLC6A9 (0.46) ACP3CES2PNMTBCHECTSA
SCHEMBL10216743 0.84 FAAH (0.44) ATML3MBTL1MEN1ALDH1A1CYP1A2
SCHEMBL3447481 0.82 KCNQ3 (0.54) ACP3CES2PNMTCTSAATM
SCHEMBL3596702 0.82 KCNQ3 (0.54) ACP3CES2PNMTCTSAATM
SCHEMBL3446393 0.82 GPR139 (0.46) ACP3CES2PNMTBCHECTSA
SCHEMBL3446563 0.81 PNMT (0.57) ACP3CES2PNMTCTSAATM
SCHEMBL3447133 0.80 MAPT (0.46) ACP3CES2PNMTCTSAATM
Hydrochloric Acid SCHEMBL168310 0.80 PNMT (0.56) ACP3CES2PNMTCTSAATM
SCHEMBL3446920 0.80 KCNQ3 (0.44) ACP3CES2PNMTCTSAATM
SCHEMBL3447661 0.79 CYP1A2 (0.45) ACP3CES2PNMTCTSAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ACP3 1088/4885CES2 319/4885PNMT 1050/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 ACP3 1088/4885CES2 319/4885PNMT 1050/4885

“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.