SCHEMBL6094476

SCHEMBL6094476

O=C(OCc1nc2ccccc2n1Cc1nc2ccccc2[nH]1)C1CCCN(Cc2nc3ccccc3n2Cc2nc3ccccc3[nH]2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
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
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A2 O94788 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
GRIN2B Q13224 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL7238628 0.88 ALDH1A1 (0.47) HTTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL6095418 0.84 GRIN2B (0.42) HTTALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL6092572 0.81 HTT (0.49) HTTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL6094701 0.76 DRD4 (0.43) HTTALDH1A1KDM4ESMN1; SMN2CACNA1G
SCHEMBL7700917 0.76 DRD4 (0.43) HTTALDH1A1KDM4ESMN1; SMN2CACNA1G
SCHEMBL6094056 0.75 POLB (0.43) HTTALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL6095609 0.74 HTT (0.49) HTTALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL6095517 0.73 KCNH2 (0.48) HTTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL6093816 0.73 KCNH2 (0.48) HTTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL6095070 0.70 MEN1 (0.62) HTTALDH1A1CYP1A2CYP2D6CYP2C9

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
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 3180/4885ALDH1A1 1618/4885KDM4E 433/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 HTT 3180/4885ALDH1A1 1618/4885KDM4E 433/4885

“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.