SCHEMBL1483091

SCHEMBL1483091

COc1cc(Cl)ccc1-c1nc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 11/20 0.65
▸ SLC2A1 P11166 1/20 0.56
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ POLB P06746 1/20 0.54
▸ KLF5 Q13887 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ GPR55 Q9Y2T6 1/20 0.54
▸ FGFR1 P11362 1/20 0.53
▸ PDE5A O76074 1/20 0.51
▸ PKM P14618 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL3332738 0.89 AMY1A (0.67) AMY1ASLC2A1NPC1RAB9APOLB
SCHEMBL3337825 0.84 PDE2A (0.66) AMY1ASLC2A1NPC1RAB9APOLB
SCHEMBL23758274 0.83 AMY1A (0.64) AMY1ASLC2A1FGFR1PDE5A
SCHEMBL10745653 0.83 CDK4 (0.65) AMY1ASLC2A1NPC1RAB9AKDM4E
SCHEMBL20445432 0.83 AMY1A (0.81) AMY1AKDM4EALDH1A1PDE5A
SCHEMBL7270233 0.83 PDE5A (0.55) AMY1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL3336470 0.82 AMY1A (0.67) AMY1A
SCHEMBL10670451 0.82 AMY1A (0.56) AMY1APDE5A
SCHEMBL31027930 0.82 AMY1A (0.76) AMY1ASLC2A1NPC1RAB9AKDM4E
SCHEMBL2096956 0.82 AMY1A (0.76) AMY1ASLC2A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 — — US disclosed
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 — — EP disclosed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 — — WO disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 AMY1A 2530/4885SLC2A1 4412/4885NPC1 1073/4885

“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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