SCHEMBL3799010

SCHEMBL3799010

C=Cc1cc(I)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ ERN1 O75460 1/20 0.38
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL10800709 0.82 ALDH1A1 (0.48) ALDH1A1ERN1IDO1
SCHEMBL4421669 0.82 ALDH1A1 (0.34) ALDH1A1ERN1
SCHEMBL1438997 0.77 ERN1 (0.57) ALDH1A1ERN1IDO1
SCHEMBL30808235 0.77 ERN1 (0.57) ALDH1A1ERN1IDO1
SCHEMBL820295 0.76 ALDH1A1 (0.52) ALDH1A1ERN1
SCHEMBL29556567 0.76 ALDH1A1 (0.52) ALDH1A1ERN1
SCHEMBL22964718 0.74 ALDH1A1 (0.50) ALDH1A1
SCHEMBL21234806 0.73 ERN1 (0.38) ERN1
SCHEMBL9253034 0.73 ALDH1A1 (0.48) ALDH1A1
SCHEMBL21021741 0.73 CYP3A4 (0.52) ALDH1A1

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-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 — — US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 — — US disclosed
EP-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 — — EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — 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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB ALDH1A1 3794/4885ERN1 2647/4885IDO1 4470/4885

“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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