SCHEMBL15428005

SCHEMBL15428005

Nc1cc2c(cc1Br)C1CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NR4A1 P22736 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN11 Q06124 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 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
SCHEMBL15416743 0.84 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL15427704 0.84 CHRNB2 (0.39) CHRNB2CHRNA4
SCHEMBL4568233 0.75 KDM1A (0.43) MEN1APAF1ALDH1A1POLBMAPT
SCHEMBL4568235 0.75 KDM1A (0.41) MEN1APAF1ALDH1A1POLBMAPT
SCHEMBL14364780 0.75 CHRNB2 (0.36) CHRNB2CHRNA4
SCHEMBL14003850 0.75 CHRNB2 (0.36) CHRNB2CHRNA4
SCHEMBL16905117 0.73 AHR (0.32) MEN1MAPTKMT2A
SCHEMBL16905150 0.73 PTK2 (0.41) MEN1KMT2ACHRNB2CHRNA4
SCHEMBL18840501 0.73 POLB (0.32) MEN1POLBMAPTKMT2AL3MBTL1
SCHEMBL23985917 0.69 CHRNB2 (0.31) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 MEN1 989/4885APAF1 3053/4885ALDH1A1 3721/4885

“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.