SCHEMBL2440172

SCHEMBL2440172

CN(CCO)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
NOX1 Q9Y5S8 1/20 0.36
POLB P06746 1/20 0.36
APP P05067 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYBB P04839 2/20 0.33
NOX4 Q9NPH5 2/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
KLF5 Q13887 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MAP4K4 O95819 1/20 0.31

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
SCHEMBL523503 0.80 HRH3 (0.36) MAPTMEN1KMT2A
SCHEMBL2444957 0.80 MAPT (0.38) POLBMAPT
SCHEMBL7871711 0.78 MAPT (0.35) MAPTMEN1KMT2A
SCHEMBL1355919 0.77 KMT2A (0.35) L3MBTL1POLBMAPTALDH1A1MEN1
SCHEMBL56003 0.77 L3MBTL1 (0.57) L3MBTL1KDM4ECYBBNOX4MEN1
SCHEMBL14921136 0.77 ALDH1A1 (0.52) L3MBTL1NOX1POLBAPPMAPT
SCHEMBL4767465 0.77 MAPT (0.51) MAPTKDM4EALDH1A1
SCHEMBL2037646 0.77 ALDH1A1 (0.43) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL7584866 0.77 MAPT (0.36) MAPTKDM4EALDH1A1
SCHEMBL2401709 0.76 POLB (0.43) L3MBTL1NOX1POLBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 US claimed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 EP claimed
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
EP-1234007-B1 OLIGOMERIC METHINE DYES CLARIANT FINANCE BVI LTD (VG) 2004-02-18 EP disclosed
EP-1234007-A1 OLIGOMERIC METHINE DYES Clariant Finance (BVI) Limited (VG) 2002-08-28 EP disclosed
WO-2001036543-A1 OLIGOMERIC METHINE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-25 WO disclosed
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 US disclosed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 EP disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 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 L3MBTL1 3914/4885NOX1 2751/4885POLB 573/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H L3MBTL1 4171/4885NOX1 2344/4885POLB 28/4885

“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.