SCHEMBL6507759

SCHEMBL6507759

COc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)n3c2c1C(=O)CC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
NPC1 O15118 1/20 0.39
TNF P01375 1/20 0.39
NOD1 Q9Y239 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
MAOB P27338 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6631403 0.72 MAPT (0.45) MAPTLMNATSHRNPC1SMN1; SMN2
SCHEMBL6528520 0.70 HTR2C (0.43) ALDH1A1CYP1A2KDM4E
SCHEMBL3225974 0.66 KDM4E (0.46) MAPTLMNAACHENPC1ALDH1A1
SCHEMBL6630480 0.65 MAPT (0.40) MAPTLMNATSHRNPC1SMN1; SMN2
SCHEMBL6506280 0.65 DRD2 (0.41) NPC1TNFNOD1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL6505881 0.65 MAPT (0.39) MAPTLMNATSHRNPC1SMN1; SMN2
SCHEMBL6630043 0.64 PARP1 (0.38) MAPTTSHRSMN1; SMN2ALDH1A1KDM4E
Ethylene SCHEMBL6508802 0.64 GAA (0.39) MAPTLMNATSHRNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL6503053 0.63 PARP1 (0.38) MAPTTSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6503698 0.62 GFER (0.48) MAPTLMNANPC1ALDH1A1CYP1A2

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 MAPT 4389/4885LMNA 2282/4885TSHR 54/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 MAPT 4259/4885LMNA 2723/4885TSHR 232/4885

“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.