SCHEMBL400373

SCHEMBL400373

CC(Oc1c(Cl)cccc1Cl)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.42
KMT2A Q03164 3/20 0.42
OGG1 O15527 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
PNMT P11086 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL10013407 1.00 CXCL8 (0.42) CXCL8KMT2AOGG1CYP1A2CYP3A4
SCHEMBL10013408 1.00 CXCL8 (0.42) CXCL8KMT2AOGG1CYP1A2CYP3A4
SCHEMBL9780706 0.83 KMT2A (0.49) CXCL8KMT2ACYP1A2ADRA2AADRA2B
SCHEMBL9780698 0.83 KMT2A (0.49) CXCL8KMT2ACYP1A2ADRA2AADRA2B
SCHEMBL12656301 0.82 KMT2A (0.46) CXCL8KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL12656438 0.82 KMT2A (0.46) CXCL8KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL16244235 0.80 KMT2A (0.57) KMT2AALDH1A1LMNAPOLBHPGD
SCHEMBL10013418 0.80 KMT2A (0.47) CXCL8KMT2AOGG1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL2720751 0.78 LMNA (0.44) KMT2ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL10013411 0.77 LMNA (0.48) KMT2ACYP1A2ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101779-B2 Enantioselective synthesis of (+) and (–)-2-[1-(2,6-dichlorophenoxy)-ethyl]-1,3-diazacyclopent-2-ene UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-01-24 US disclosed
US-20100087657-A1 ENANTIOSELECTIVE SYNTHESIS OF (+) AND (-)-2-[1-(2,6-DICHLOROPHENOXY)-ETHYL]-1,3-DIAZACYCLOPENT-2-3ENE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-04-08 US disclosed
EP-0081748-B1 PROCESS FOR THE PREPARATION OF (-)-2-(1-(2,6-DICHLOROPHENOXY)-ETHYL)-1,3-DIAZACYCLOPENT-2-ENE A. Nattermann & Cie. GmbH (DE) 1987-02-25 EP disclosed
EP-0082364-B1 (+)-2-(1-(2,6-DICHLOROPHENOXY)-ETHYL)-1,3-DIAZACYCLOPENT-2-ENE, PROCESS FOR ITS PREPARATION AND ITS USE IN PHARMACEUTICAL COMPOSITIONS A. Nattermann & Cie. GmbH (DE) 1986-04-23 EP disclosed
US-4518783-A Process for producing (-)-2-[1-(2,6-dichlorophenoxy)-ethyl]-1,3-diazacyclopent-2-ene A. NATTERMANN & CIE GMBH (DE) 1985-05-21 US disclosed
US-4443464-A (+)-2-[1-(2,6-Dichlorophenoxy)-ethyl]-1,3-diazacyclopent-2-ene and the method for the treatment of human beings suffering from nervous disarrangements, in particular migraine A. NATTERMANN & CIE GMBH (DE) 1984-04-17 US disclosed
EP-0081748-A2 Process for the preparation of (-)-2-(1-(2,6-dichlorophenoxy)-ethyl)-1,3-diazacyclopent-2-ene A. Nattermann & Cie. GmbH (DE) 1983-06-22 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-20100087657-A1 ENANTIOSELECTIVE SYNTHESIS OF (+) AND (-)-2-[1-(2,6-DICHLOROPHENOXY)-ETHYL]-1,3-DIAZACYCLOPENT-2-3ENE CYP2E1, CYP2D6, CYP2C9 CXCL8 3482/4885KMT2A 796/4885OGG1 831/4885

“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.