SCHEMBL6095609

SCHEMBL6095609

NC(=O)CN1CCN(Cc2nc3ccccc3n2Cc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
CACNA1G O43497 5/20 0.48
DRD4 P21917 8/20 0.48
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CACNA1B Q00975 1/20 0.46
KCNH2 Q12809 1/20 0.46
DRD2 P14416 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A2 O94788 1/20 0.46
ALDH2 P05091 1/20 0.46
ALDH3A1 P30838 1/20 0.46

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
SCHEMBL6096279 0.78 DRD4 (0.76) DRD4ALDH1A1DRD2KDM4E
SCHEMBL6094056 0.78 POLB (0.43) HTTDRD4HPGDALDH1A1MEN1
SCHEMBL7238628 0.77 ALDH1A1 (0.47) HTTCACNA1GDRD4ALDH1A1MEN1
SCHEMBL6095407 0.76 DRD4 (0.64) HTTCACNA1GDRD4NPC1GAA
SCHEMBL6092572 0.75 HTT (0.49) HTTDRD4ALDH1A1MEN1CYP1A2
SCHEMBL6095070 0.75 MEN1 (0.62) HTTDRD4NPC1GAAHPGD
SCHEMBL6095533 0.74 DRD4 (0.56) DRD4NPC1GAAALDH1A1KCNH2
SCHEMBL6094476 0.74 HTT (0.43) HTTCACNA1GDRD4ALDH1A1MEN1
SCHEMBL5157052 0.74 HTT (0.84) HTTDRD4NPC1GAAHPGD
SCHEMBL6881731 0.73 DRD4 (0.52) HTTCACNA1GDRD4NPC1GAA

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
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US claimed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US claimed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 WO claimed
US-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US disclosed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 HTT 3180/4885CACNA1G 4287/4885DRD4 1827/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 HTT 3180/4885CACNA1G 4287/4885DRD4 1827/4885

“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.