SCHEMBL2442703

SCHEMBL2442703

CN(CC(=O)O)c1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP3 Q96P20 1/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL196635 0.81 KMT2A (0.49) CA12CA2CA9MEN1KMT2A
SCHEMBL11973878 0.79 KMT2A (0.47) CA12CA2CA9MEN1KMT2A
Hydrochloric Acid SCHEMBL2238154 0.79 KMT2A (0.47) CA12CA2CA9MEN1KMT2A
Ethane SCHEMBL7405342 0.79 KMT2A (0.47) CA12CA2CA9MEN1KMT2A
SCHEMBL11973371 0.79 KMT2A (0.47) CA12CA2CA9MEN1KMT2A
SCHEMBL3348892 0.78 KEAP1 (0.54) CA12CA1CA2CA9KMT2A
SCHEMBL797850 0.78 CA2 (0.43) CA12CA1CA2CA9KEAP1
SCHEMBL22689548 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL2441234 0.77 CA12 (0.42) CA12CA1CA2CA9MEN1
SCHEMBL3905837 0.76 CHRM5 (0.46) CA12CA1CA2CA9KMT2A

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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
CN-101472902-A Novel piperazine compounds and their use as HCV polymerase inhibitors JAPAN TOBACCO INC (JP) 2009-07-01 CN disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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 (2 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP CA12 2962/4885CA1 3195/4885CA2 920/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H CA12 4105/4885CA1 4582/4885CA2 3400/4885

“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.