SCHEMBL6095517

SCHEMBL6095517

OC[C@H]1CCCN1Cc1nc2ccccc2n1Cc1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
HTT P42858 1/20 0.46
DRD4 P21917 5/20 0.43
SPHK1 Q9NYA1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PRKG1 Q13976 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
HPGD P15428 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE10A Q9Y233 2/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
CHRNA7 P36544 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
SCHEMBL6093816 1.00 KCNH2 (0.48) KCNH2HTTDRD4SPHK1KDM4E
SCHEMBL6097411 0.89 HTT (0.46) KCNH2HTTDRD4KDM4EPRKG1
SCHEMBL6880434 0.86 DRD4 (0.47) KCNH2HTTDRD4KDM4EPRKG1
SCHEMBL6094056 0.83 POLB (0.43) HTTDRD4KDM4EPRKG1GRIN1
SCHEMBL6092572 0.82 HTT (0.49) KCNH2HTTDRD4KDM4EGRIN1
SCHEMBL7700917 0.81 DRD4 (0.43) HTTDRD4KDM4EPRKG1ALDH1A1
SCHEMBL6094701 0.81 DRD4 (0.43) HTTDRD4KDM4EPRKG1ALDH1A1
SCHEMBL6095418 0.80 GRIN2B (0.42) HTTDRD4KDM4EPRKG1GRIN1
SCHEMBL13508723 0.80 KCNH2 (0.71) KCNH2SPHK1CYP1A2CYP2D6CYP2C9
SCHEMBL3671117 0.80 KCNH2 (0.71) KCNH2SPHK1CYP1A2CYP2D6CYP2C9

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 6 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
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 KCNH2 1518/4885HTT 3180/4885DRD4 1827/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 KCNH2 1518/4885HTT 3180/4885DRD4 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.