SCHEMBL14030874

SCHEMBL14030874

CCC(=O)c1sc(-c2ccccc2)cc1N(CC1CCN(C)CC1)C(=O)C1CCC(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.37
▸ CYP2E1 P05181 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ PKM P14618 3/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ NR1I2 O75469 2/20 0.34
▸ OPRD1 P41143 2/20 0.34

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
SCHEMBL2876357 0.93 CYP2E1 (0.42) MKNK1CYP2E1KDM4EHTTATM
Hydrochloric Acid SCHEMBL2874873 0.92 CYP2E1 (0.41) MKNK1CYP2E1KDM4EHTTATM
SCHEMBL2870751 0.89 KDM4E (0.47) MKNK1KDM4EHTTATM
SCHEMBL14048987 0.88 OPRD1 (0.42) MKNK1KDM4EIKBKBCHEK1OPRD1
SCHEMBL2878936 0.86 MKNK1 (0.38) MKNK1KDM4EHTTATMUSP30
SCHEMBL14030873 0.86 SMN1; SMN2 (0.43) HTT
SCHEMBL2157834 0.84 CYP2E1 (0.43) CYP2E1KDM4EHTTATMUSP30
SCHEMBL2877042 0.84 NR1I2 (0.41) CYP2E1KDM4EHTTATMCHEK1
Hydrochloric Acid SCHEMBL2878280 0.83 NR1I2 (0.41) CYP2E1KDM4EHTTATMCHEK1
SCHEMBL2876967 0.81 KDM4E (0.46) KDM4EHTTATMCHEK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 — — 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-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX MKNK1 3192/4885CYP2E1 202/4885KDM4E 1505/4885

“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.

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