SCHEMBL4553803

SCHEMBL4553803

C=CC(N)c1ccccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
METAP2 P50579 1/20 0.41
BCAT2 O15382 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
CTNNB1 P35222 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PARP1 P09874 2/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL461023 0.85 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL11036461 0.84 AKT1 (0.42) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL4863926 0.83 KEAP1 (0.36) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL7197042 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL2212689 0.81 MAPT (0.49) ALDH1A1MAPTHSD17B10LMNAGAA
SCHEMBL7624006 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL3210135 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL20077832 0.78 ADRA2A (0.30)
SCHEMBL9542306 0.77 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL666673 0.77 DPP4 (0.33) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003055857-A1 A PROCESS FOR SYNTHESIS OF HETEROCYCLIC AMINOALKYL BENZAMIDES FARMACEUTSKO-HEMIJSKA INDUSTRIJA 'ZDRAVLJE' (YU) 2003-07-10 WO claimed
US-20090286876-A1 NEUROPROTECTIVE BENZOATE AND BENZAMIDE COMPOUNDS SAMARITAN PHARMACEUTICALS, INC. 2009-11-19 US disclosed
US-20060167108-A1 Neuroprotective benzoate and benzamide compounds GEORGETOWN UNIVERSITY 2006-07-27 US disclosed
EP-1628649-A2 NEUROPROTECTIVE BENZOATE AND BENZAMIDE COMPOUNDS Samaritan Pharmaceuticals (US) 2006-03-01 EP disclosed
WO-2004108666-A2 NEUROPROTECTIVE BENZOATE AND BENZAMIDE COMPOUNDS SAMARITAN PHARMACEUTICALS, INC. (US) 2004-12-16 WO disclosed
WO-2003055857-A8 A PROCESS FOR SYNTHESIS OF HETEROCYCLIC AMINOALKYL BENZAMIDES FARMACEUTSKO HEMIJSKA IND ZDRA (YU) 2003-10-30 WO disclosed
WO-2003055857-A8 A PROCESS FOR SYNTHESIS OF HETEROCYCLIC AMINOALKYL BENZAMIDES FARMACEUTSKO HEMIJSKA IND ZDRA (YU) 2003-10-30 WO disclosed
WO-2003055857-A1 A PROCESS FOR SYNTHESIS OF HETEROCYCLIC AMINOALKYL BENZAMIDES FARMACEUTSKO-HEMIJSKA INDUSTRIJA 'ZDRAVLJE' (YU) 2003-07-10 WO disclosed
WO-2003055857-A1 A PROCESS FOR SYNTHESIS OF HETEROCYCLIC AMINOALKYL BENZAMIDES FARMACEUTSKO-HEMIJSKA INDUSTRIJA 'ZDRAVLJE' (YU) 2003-07-10 WO disclosed
WO-2003055857-A1 A PROCESS FOR SYNTHESIS OF HETEROCYCLIC AMINOALKYL BENZAMIDES FARMACEUTSKO-HEMIJSKA INDUSTRIJA 'ZDRAVLJE' (YU) 2003-07-10 WO disclosed
WO-1999006376-A1 NOVEL SULPHONAMIDE DERIVED FROM SUBSTITUTED ANILINES USEFUL AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 1999-02-11 WO disclosed
EP-0817630-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-01-27 EP disclosed
EP-0817630-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
US-5578629-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-26 US disclosed
US-5578629-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-26 US disclosed
WO-1996030015-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed
US-5534537-A Prodrugs of inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-07-09 US disclosed
US-5534537-A Prodrugs of inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-07-09 US disclosed
US-4207327-A N-(4-Pyrazolidinyl)benzamides and their amino precursors A. H. ROBINS COMPANY, INC. (US) 1980-06-10 US disclosed
US-3342826-A Heterocyclic aminoalkyl benzamides ILE DE FRANCE 1967-09-19 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-20090286876-A1 NEUROPROTECTIVE BENZOATE AND BENZAMIDE COMPOUNDS ABAT, GABRB2, GABRB1 KDM4E 2613/4885ALDH1A1 590/4885HPGD 1284/4885
US-20060167108-A1 Neuroprotective benzoate and benzamide compounds ABAT, GABRB2, GABRB1 KDM4E 2613/4885ALDH1A1 590/4885HPGD 1284/4885

“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.