SCHEMBL256635

SCHEMBL256635

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 2/20 0.40
VDR P11473 1/20 0.34
LMNA P02545 2/20 0.34
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CTSA P10619 3/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
EEF2K O00418 1/20 0.33
VCAM1 P19320 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL10089971 0.87 ALDH1A1 (0.44) GAAALDH1A1CNR1VDRLMNA
SCHEMBL10089972 0.80 NISCH (0.45) LMNASCN1ASCN5ASCN8ATP53
SCHEMBL3446401 0.74 CTSA (0.44) GAAALDH1A1CNR1LMNAMAPT
SCHEMBL3446398 0.74 CTSA (0.44) GAAALDH1A1CNR1LMNAMAPT
SCHEMBL10089992 0.73 LMNA (0.50) GAAALDH1A1CNR1LMNAMAPT
Hydrochloric Acid SCHEMBL11798564 0.72 CNR1 (0.40) GAAALDH1A1CNR1VDRLMNA
SCHEMBL10217090 0.70 ATM (0.41) GAAALDH1A1CNR1CTSAADRB2
SCHEMBL27828299 0.69 ADRB2 (0.47) GAAALDH1A1CNR1ADRB2ADRB1
SCHEMBL256785 0.69 CNR1 (0.47) GAAALDH1A1CNR1MAPTCYP2D6
SCHEMBL27828301 0.69 ADRB2 (0.47) GAAALDH1A1CNR1ADRB2ADRB1

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 10 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
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 GAA 755/4885ALDH1A1 2925/4885CNR1 2989/4885

“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.