SCHEMBL8917506

SCHEMBL8917506

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nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL10141027 1.00 CYP1A2 (0.33) CYP1A2CYP2D6CYP3A4L3MBTL1GAA
SCHEMBL754074 0.85 LMNA (0.38) CYP1A2CYP2D6CYP3A4L3MBTL1MAPT
SCHEMBL890117 0.85 GAA (0.35) CYP1A2CYP2D6CYP3A4L3MBTL1GAA
SCHEMBL890065 0.85 GAA (0.35) CYP1A2CYP2D6CYP3A4L3MBTL1GAA
SCHEMBL8907693 0.82 MAPT (0.32) L3MBTL1GAAMAPTHRH3
SCHEMBL8912048 0.82 MAPT (0.32) L3MBTL1GAAMAPTHRH3
SCHEMBL19578134 0.81 CA2 (0.34) CYP1A2CYP2D6CYP3A4L3MBTL1GAA
SCHEMBL8906714 0.81 GAA (0.33) L3MBTL1GAAMAPTHRH3
SCHEMBL10150853 0.81 GAA (0.33) L3MBTL1GAAMAPTHRH3
SCHEMBL12175194 0.80 CTSK (0.40) CYP3A4

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 8 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
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 — — WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 — — WO disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 — — US disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 — — WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 — — WO disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 — — 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-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP1A2 205/4885CYP2D6 594/4885CYP3A4 204/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CYP1A2 390/4885CYP2D6 478/4885CYP3A4 138/4885

“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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