SCHEMBL3446398

SCHEMBL3446398

O=C(O)NC(C[N+](=O)[O-])c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 10/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CNR1 P21554 1/20 0.44
LMNA P02545 3/20 0.41
CPA1 P15085 3/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL3446401 1.00 CTSA (0.44) CTSAGAAALDH1A1CNR1LMNA
SCHEMBL15206127 0.89 CTSA (0.41) CTSAGAAALDH1A1CNR1CPA1
SCHEMBL15206125 0.89 CTSA (0.41) CTSAGAAALDH1A1CNR1CPA1
SCHEMBL10089992 0.87 LMNA (0.50) CTSAGAAALDH1A1CNR1LMNA
SCHEMBL10217090 0.80 ATM (0.41) CTSAGAAALDH1A1CNR1
SCHEMBL3446517 0.80 CTSA (0.48) CTSALMNAMAPT
SCHEMBL3446529 0.79 CNR2 (0.48) CTSAALDH1A1CNR1CPA1
SCHEMBL3446534 0.79 CNR2 (0.48) CTSAALDH1A1CNR1CPA1
SCHEMBL168304 0.78 CTSA (0.47) CTSALMNAMAPT
Hydrochloric Acid SCHEMBL11798564 0.77 CNR1 (0.40) CTSAGAAALDH1A1CNR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US 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
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 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
CN-102438990-A Substituted 2-acetamido-5-aryl-1, 2, 4-triazolones and use thereof BAYER SCHERING PHARMA AG 2012-05-02 CN 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 (3 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 266/4885GAA 292/4885ALDH1A1 173/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 CTSA 266/4885GAA 292/4885ALDH1A1 173/4885
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT CTSA 76/4885GAA 755/4885ALDH1A1 2925/4885

“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.