SCHEMBL3867953

SCHEMBL3867953

O=c1ccc(I)cn1Cc1ccc2c(c1)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.49
▸ CMA1 P23946 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ FAAH O00519 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL31066579 0.77 CYP2D6 (0.58) CYP2D6CMA1SMN1; SMN2PKMGAA
SCHEMBL3860303 0.74 CYP2D6 (0.40) CYP2D6CMA1SMN1; SMN2PKMGAA
SCHEMBL32665579 0.71 BRD4 (0.40) SMN1; SMN2GAATSHRKMT2AALDH1A1
SCHEMBL17420665 0.71 BRD4 (0.53) CMA1SMN1; SMN2GAAALDH1A1
SCHEMBL20504054 0.70 MAPK1 (0.44) CYP2D6CMA1SMN1; SMN2PKMGAA
SCHEMBL1895931 0.69 ALDH1A1 (0.46) CYP2D6CMA1SMN1; SMN2KDM4ETSHR
SCHEMBL3143023 0.69 CYP2D6 (0.68) CYP2D6SMN1; SMN2PKMGAAKDM4E
SCHEMBL16883442 0.68 CYP2D6 (0.71) CYP2D6SMN1; SMN2PKMGAAKDM4E
SCHEMBL13574529 0.68 CYP2D6 (0.71) CYP2D6SMN1; SMN2PKMGAAKDM4E
SCHEMBL32665634 0.68 CMA1 (0.51) CMA1SMN1; SMN2KDM4EALDH1A1

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-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 — — US disclosed
EP-2114898-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS Amgen Inc. (US) 2009-11-11 — — EP disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 — — US disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 — — 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 (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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET CYP2D6 519/4885CMA1 1342/4885SMN1; SMN2 864/4885

“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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