SCHEMBL10076041

SCHEMBL10076041

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C=O)C2CCNCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.36
CHRM1 P11229 1/20 0.35
KCNH2 Q12809 4/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
SLC6A4 P31645 8/20 0.33
SLC6A2 P23975 7/20 0.33
SLC6A3 Q01959 4/20 0.32

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
SCHEMBL2157823 0.86 KDM4E (0.39) CHEK1CHRM1KDM4EHTTATM
SCHEMBL2871147 0.85 KDM4E (0.36) CHEK1CHRM1KCNH2KDM4EHTT
SCHEMBL2249120 0.85 NR1I2 (0.39) CHEK1CHRM1KDM4EHTTATM
SCHEMBL14136639 0.85 SLC6A2 (0.43) CHEK1CHRM1KCNH2SLC6A4SLC6A2
SCHEMBL2877238 0.85 NR1I2 (0.41) CHEK1KCNH2KDM4EHTTATM
SCHEMBL14136984 0.84 POLB (0.40) KDM4EATM
SCHEMBL2877241 0.84 CHEK1 (0.38) CHEK1CHRM1KCNH2KDM4EHTT
Lithium Ion SCHEMBL2249121 0.83 KDM4E (0.37) CHEK1CHRM1KCNH2KDM4EHTT
SCHEMBL2425688 0.83 KDM4E (0.50) CHEK1KDM4EHTTATM
SCHEMBL2430637 0.83 KDM4E (0.50) CHEK1KDM4EHTTATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178531-B2 Antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20110218175-A1 ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2011-09-08 US 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 (1 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-20110218175-A1 ANTIVIRAL AGENTS EIF2AK2, HAVCR2, MAVS CHEK1 3357/4885CHRM1 4729/4885KCNH2 4069/4885

“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.