SCHEMBL7858951

SCHEMBL7858951

COc1nn(Cc2ccccc2)c(=O)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.50
PDE4A P27815 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
PTGS2 P35354 1/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.44
PDE5A O76074 1/20 0.43
PDE3A Q14432 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL23176658 0.87 SMN1; SMN2 (0.48) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL2767358 0.78 CNR2 (0.56) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL23176714 0.78 SMN1; SMN2 (0.45) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL23176510 0.77 SMN1; SMN2 (0.44) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL17582586 0.77 MEN1 (0.62) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL26307815 0.76 HTR2C (0.43) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL23176546 0.76 SMN1; SMN2 (0.43) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL23176730 0.76 SMN1; SMN2 (0.43) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL30602797 0.75 CNR2 (0.53) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL23176679 0.75 SMN1; SMN2 (0.43) ALDH1A1MAPTLMNAKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
WO-2010147969-A2 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed
WO-2010147973-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed
WO-2009073777-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-11 WO disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 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 (5 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-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PDE4B 512/4885PDE4A 456/4885PDE4C 529/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PDE4B 512/4885PDE4A 456/4885PDE4C 529/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PDE4B 401/4885PDE4A 365/4885PDE4C 464/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PDE4B 422/4885PDE4A 385/4885PDE4C 487/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PDE4B 755/4885PDE4A 833/4885PDE4C 954/4885

“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.