SCHEMBL273093

SCHEMBL273093

CCc1c([N+](=O)[O-])ccc(Cl)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
VCAM1 P19320 14/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 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
SCHEMBL4922982 0.85 TDP1 (0.60) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL9512370 0.84 TDP1 (0.48) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL278504 0.83 TDP1 (0.62) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL278949 0.82 TDP1 (0.51) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL278628 0.81 TDP1 (0.60) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL273405 0.81 TDP1 (0.60) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL278621 0.81 TDP1 (0.60) TDP1TSHRMAPK1VCAM1ALDH1A1
Hydrochloric Acid SCHEMBL1197124 0.80 TDP1 (0.58) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL28187039 0.79 TDP1 (0.47) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL20651994 0.78 TSHR (0.44) TDP1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133996-B2 Process for the preparation of ethyl-N-(2,3-dichloro-6-nitrobenzyl)glycine hydrochloride CIPLA LIMITED (IN) 2012-03-13 US disclosed
US-20100075999-A1 Process for the Preparation of Ethyl-N-(2,3-Dichloro-6-Nitrobenzyl)Glycine Hydrochloride CIPLA LIMITED (IN) 2010-03-25 US disclosed
EP-2114856-A1 PROCESS FOR THE PREPARATION OF ETHYL-N-(2, 3-DICHLORO-6-NITROBENZYL) GLYCINE HYDROCHLORIDE Cipla Limited (IN) 2009-11-11 EP disclosed
WO-2008096145-A1 PROCESS FOR THE PREPARATION OF ETHYL-N-(2, 3-DICHLORO-6-NITROBENZYL) GLYCINE HYDROCHLORIDE CIPLA LIMITED (IN) 2008-08-14 WO disclosed
EP-0175151-A1 2,4-Dichloro-3-alkyl-6-nitrophenols and process for their preparation BAYER AG (DE) 1986-03-26 EP 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-20100075999-A1 Process for the Preparation of Ethyl-N-(2,3-Dichloro-6-Nitrobenzyl)Glycine Hydrochloride CDK13, CBR3, SUCNR1 TDP1 4495/4885TSHR 2160/4885MAPK1 3228/4885

“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.