SCHEMBL6094056

SCHEMBL6094056

NC(=O)[C@@H]1CCCN1Cc1nc2ccccc2n1Cc1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
DRD4 P21917 4/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DPP4 P27487 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALDH1A2 O94788 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39

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
SCHEMBL7700917 0.88 DRD4 (0.43) HTTDRD4LMNATP53CASP1
SCHEMBL6094701 0.88 DRD4 (0.43) HTTDRD4LMNATP53CASP1
SCHEMBL6095418 0.87 GRIN2B (0.42) HTTDRD4LMNATP53CASP1
SCHEMBL6095517 0.83 KCNH2 (0.48) HTTDRD4LMNAGRIN1GRIN2B
SCHEMBL6093816 0.83 KCNH2 (0.48) HTTDRD4LMNAGRIN1GRIN2B
SCHEMBL6097411 0.79 HTT (0.46) POLBHTTDRD4LMNAGRIN1
SCHEMBL7238628 0.78 ALDH1A1 (0.47) HTTDRD4LMNAGRIN1GRIN2B
SCHEMBL6095609 0.78 HTT (0.49) HTTDRD4HPGDALDH1A1ALDH1A2
SCHEMBL6092572 0.76 HTT (0.49) HTTDRD4LMNAGRIN1GRIN2B
SCHEMBL6094476 0.75 HTT (0.43) HTTDRD4LMNASMN1; SMN2GRIN2B

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 POLB 1903/4885HTT 3180/4885DRD4 1827/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 POLB 1903/4885HTT 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.