SCHEMBL6503698

SCHEMBL6503698

CC(=O)Nc1ccc(N2CCN(c3nc4cccc5c4n3CCC5=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
SCN2A Q99250 1/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APAF1 O14727 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
JAK2 O60674 2/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL6511651 0.87 NAMPT (0.39) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL6509219 0.84 GAA (0.41) GFERKMT2AMAPTMEN1KDM4E
Ethylene SCHEMBL6508802 0.82 GAA (0.39) GFERKMT2AMAPTMEN1KDM4E
SCHEMBL6630480 0.82 MAPT (0.40) GFERCYP2C19KMT2AMAPTMEN1
SCHEMBL6632841 0.82 MEN1 (0.44) GFERKMT2AMAPTMEN1KDM4E
SCHEMBL6505984 0.81 PARP1 (0.36) CYP3A4MAPTKDM4EALDH1A1GAA
SCHEMBL6631403 0.81 MAPT (0.45) KMT2AMAPTMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6502264 0.81 MEN1 (0.43) GFERKMT2AMAPTMEN1KDM4E
Hydrochloric Acid SCHEMBL6505881 0.81 MAPT (0.39) GFERCYP2C19KMT2AMAPTMEN1
SCHEMBL6630043 0.80 PARP1 (0.38) MAPTKDM4EALDH1A1HTTUSP2

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
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
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

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 GFER 1623/4885CYP1A2 484/4885CYP3A4 132/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 GFER 1857/4885CYP1A2 280/4885CYP3A4 43/4885

“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.