SCHEMBL8911903

SCHEMBL8911903

COC(=O)N[C@H](Cc1cnn[nH]1)C(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.33
▸ MME P08473 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TACR1 P25103 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ ACACA Q13085 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30

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
SCHEMBL10122822 1.00 ACACB (0.33) ACACBMMEITGA4ITGB7ALDH1A1
SCHEMBL888696 1.00 ACACB (0.33) ACACBMMEITGA4ITGB7ALDH1A1
SCHEMBL14864778 0.86 MME (0.32) ACACBMMEITGA4ITGB7ALDH1A1
SCHEMBL14850463 0.86 MME (0.32) ACACBMMEITGA4ITGB7ALDH1A1
SCHEMBL14886286 0.84 MME (0.31) ACACBMMEITGA4ITGB7
SCHEMBL10120407 0.83 MME (0.31) ACACBMMEITGA4ITGB7
SCHEMBL888751 0.78 ITGB2 (0.47) ALDH1A1
SCHEMBL10122812 0.78 ITGB2 (0.47) ALDH1A1
SCHEMBL4788962 0.71 NPC1 (0.37) ACACB
SCHEMBL10122809 0.70 ACACB (0.46) ACACBITGA4ITGB7ALDH1A1ALOX15

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-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 — — US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — 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-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ACACB 345/4885MME 2199/4885ITGA4 3311/4885

“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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