SCHEMBL10089992

SCHEMBL10089992

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.44
DCAF1 Q9Y4B6 1/20 0.41
CNR1 P21554 1/20 0.41
CTSA P10619 5/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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 0.87 CTSA (0.44) LMNAMAPTCNR1CTSAGAA
SCHEMBL3446398 0.87 CTSA (0.44) LMNAMAPTCNR1CTSAGAA
SCHEMBL257263 0.80 LMNA (0.55) LMNAMAPTKMT2AATMMEN1
SCHEMBL10217090 0.79 ATM (0.41) ATMCNR1CTSAGAAALDH1A1
Hydrochloric Acid SCHEMBL11798564 0.76 CNR1 (0.40) LMNAMAPTCNR1CTSAGAA
SCHEMBL15206127 0.76 CTSA (0.41) KMT2AMEN1CNR1CTSAGAA
SCHEMBL15206125 0.76 CTSA (0.41) KMT2AMEN1CNR1CTSAGAA
SCHEMBL10089971 0.74 ALDH1A1 (0.44) LMNACNR1CTSAGAAALDH1A1
SCHEMBL256785 0.73 CNR1 (0.47) MAPTCNR1GAAALDH1A1
SCHEMBL27828301 0.73 ADRB2 (0.47) CNR1GAAALDH1A1

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
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed
CN-103370309-A Substituted N-phenethyltriazoloneacetamides and use thereof BAYER IP GMBH 2013-10-23 CN disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
WO-2012028644-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 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 (1 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-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT LMNA 119/4885MAPT 1575/4885KMT2A 462/4885

“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.