SCHEMBL6505984

SCHEMBL6505984

CN(C)c1ccc(N2CCN(c3nc4cccc5c4n3CCC5=O)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.36
ALDH1A1 P00352 6/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 3/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CRHR1 P34998 1/20 0.33
MAPK1 P28482 2/20 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
SCHEMBL6630480 0.85 MAPT (0.40) PARP1ALDH1A1MAPTHTTKDM4E
SCHEMBL6509219 0.85 GAA (0.41) PARP1ALDH1A1MAPTHTTKDM4E
SCHEMBL6631403 0.84 MAPT (0.45) ALDH1A1MAPTHTTKDM4ELMNA
Hydrochloric Acid SCHEMBL6505881 0.84 MAPT (0.39) PARP1ALDH1A1MAPTHTTKDM4E
SCHEMBL6630043 0.84 PARP1 (0.38) PARP1ALDH1A1MAPTHTTKDM4E
Ethylene SCHEMBL6508802 0.83 GAA (0.39) PARP1ALDH1A1MAPTHTTKDM4E
Hydrochloric Acid SCHEMBL6503053 0.83 PARP1 (0.38) PARP1ALDH1A1MAPTHTTKDM4E
SCHEMBL6503698 0.81 GFER (0.48) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL6633308 0.80 HRH1 (0.43) PARP1CRHR1CYP2D6
SCHEMBL6632841 0.78 MEN1 (0.44) PARP1ALDH1A1MAPTKDM4ETHRB

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
EP-1309594-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2004-12-15 EP claimed
US-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-02-10 US disclosed
EP-1309594-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2004-12-15 EP disclosed
US-6794382-B2 6-OXO-5,6-DIHYDRO-4H-IMIDAZO(4,5,1-IJ)QUINOLINE DERIVATIVES AS INHIBITORS OF ADP-RIBOSYLTRANSFERASE; CARDIOVASCULAR, IMMUNOLOGICAL, RESPIRATORY SYSTEM, AND NEURODEGENERATIVE DISORDER TREATMENT SANOFI-SYNTHELABO (FR) 2004-09-21 US disclosed
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-10-30 US disclosed
EP-1309594-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2003-05-14 EP disclosed
WO-2002012239-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-02-14 WO 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-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CYP3A7, HDAC7 PARP1 1406/4885ALDH1A1 4006/4885MAPT 4389/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 PARP1 1342/4885ALDH1A1 3413/4885MAPT 4259/4885

“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.