Sugi Predict

Sugi Predict / Compounds / SCHEMBL2437324

SCHEMBL2437324

SCHEMBL2437324

CN(C)C(=O)c1cc(NC=O)ccn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RAF1 P04049 4/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ BRAF P15056 1/20 0.37
▸ FGFR3 P22607 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ PIK3C3 Q8NEB9 5/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL883725 0.82 PIK3C3 (0.41) ALDH1A1KDM4EMAPTL3MBTL1RAF1
SCHEMBL2437939 0.80 KDM4E (0.52) ALDH1A1KDM4EMAPTL3MBTL1LMNA
SCHEMBL10828880 0.79 AR (0.51) ALDH1A1KDM4EMAPTL3MBTL1LMNA
SCHEMBL28294352 0.79 RAF1 (0.43) ALDH1A1KDM4EMAPTL3MBTL1RAF1
SCHEMBL2441973 0.79 ADORA3 (0.39) ALDH1A1RAF1
SCHEMBL2437319 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTL3MBTL1RAF1
SCHEMBL10828494 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTL3MBTL1LMNA
SCHEMBL10828574 0.76 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTSMN1; SMN2KDM5A
SCHEMBL10828577 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTL3MBTL1LMNA
SCHEMBL5700562 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTL3MBTL1RAF1

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 4 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
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 ALDH1A1 96/4885KDM4E 502/4885MAPT 4262/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H ALDH1A1 557/4885KDM4E 1378/4885MAPT 3695/4885

“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.