SCHEMBL1663033

SCHEMBL1663033

Cc1c(Br)ncnc1CO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDXK O00764 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
SCHEMBL1663007 0.78
SCHEMBL2232487 0.75
SCHEMBL25259710 0.74 KDM4E (0.32) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1660929 0.74 ALDH1A1 (0.34) KDM4EALDH1A1PDXK
SCHEMBL23830360 0.72 HSD17B10 (0.45) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23830301 0.72 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10566960 0.71 MAPK1 (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL23830411 0.69 HSD17B10 (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3393038 0.68 HSP90AA1 (0.40) KDM4EALDH1A1
SCHEMBL15056335 0.68 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
EP-2488514-B1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LTD (GB) 2013-12-25 EP disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 US disclosed
EP-2488514-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR Proximagen Limited (GB) 2012-08-22 EP disclosed
WO-2011045353-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (GB) 2011-04-21 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-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR CHRNA7, CHRNA5, CHRNA1 KDM4E 1187/4885ALDH1A1 534/4885HPGD 1735/4885
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR CHRNA7, CHRNA5, CHRNA1 KDM4E 1262/4885ALDH1A1 522/4885HPGD 1737/4885

“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.