SCHEMBL16997490

SCHEMBL16997490

O/N=C1/CCOc2ccc(Br)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
PIK3CA P42336 4/20 0.43
PIK3CB P42338 4/20 0.43
PIK3CG P48736 4/20 0.43
PIK3CD O00329 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSL P07711 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APP P05067 4/20 0.37
CYP19A1 P11511 1/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL31482851 1.00 MAPT (0.43) MAPTLMNAHTTBLMPIK3CA
SCHEMBL17001600 1.00 MAPT (0.43) MAPTLMNAHTTBLMPIK3CA
SCHEMBL17018289 1.00 MAPT (0.43) MAPTLMNAHTTBLMPIK3CA
SCHEMBL31027125 0.87 MAPT (0.43) MAPTLMNAHTTBLMKDM4E
SCHEMBL2067967 0.87 MAPT (0.43) MAPTLMNAHTTBLMKDM4E
SCHEMBL2067965 0.87 MAPT (0.43) MAPTLMNAHTTBLMKDM4E
SCHEMBL15405445 0.87 MAPT (0.43) MAPTLMNAHTTBLMKDM4E
SCHEMBL22439195 0.83 APP (0.44) MAPTLMNAHTTBLMPIK3CA
SCHEMBL22439193 0.83 APP (0.44) MAPTLMNAHTTBLMPIK3CA
SCHEMBL30601579 0.83 APP (0.44) MAPTLMNAHTTBLMPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160332977-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20160332976-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20150225384-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-08-13 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 (3 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-20160332976-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS KCNN2, KCNJ2, KCNN1 MAPT 3607/4885LMNA 1766/4885HTT 1733/4885
US-20160332977-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS KCNN2, KCNJ2, KCNN1 MAPT 3607/4885LMNA 1766/4885HTT 1733/4885
US-20150225384-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS KCNN2, KCNJ2, KCNN1 MAPT 3607/4885LMNA 1766/4885HTT 1733/4885

“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.