SCHEMBL7837583

SCHEMBL7837583

COc1ccc(Cn2cc(I)c(=O)n(Cc3ccc(F)cc3)c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 3/20 0.56
RGS4 P49798 1/20 0.53
RGS8 P57771 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 6/20 0.47
USP2 O75604 4/20 0.47
TSHR P16473 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL7840052 0.85 ALDH1A1 (0.56) ALDH1A1KDM4ERGS4RGS8L3MBTL1
SCHEMBL7837096 0.77 L3MBTL1 (0.46) ALDH1A1KDM4ERGS4RGS8L3MBTL1
SCHEMBL5796829 0.75 L3MBTL1 (0.52) ALDH1A1KDM4ERGS4RGS8L3MBTL1
SCHEMBL12913669 0.73 KDM4E (0.48) ALDH1A1KDM4ERGS4RGS8L3MBTL1
SCHEMBL13792201 0.72 RGS4 (0.45) ALDH1A1KDM4ERGS4RGS8L3MBTL1
SCHEMBL4348849 0.71 L3MBTL1 (0.90) ALDH1A1RGS4RGS8L3MBTL1MAPT
SCHEMBL5430703 0.71 CNR1 (0.52) ALDH1A1KDM4ERGS4RGS8MAPT
SCHEMBL31381672 0.71 MAPK10 (0.49) ALDH1A1KDM4EMAPTUSP2MEN1
SCHEMBL28500694 0.71 CHRM1 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7839293 0.70 TYMP (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A

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 14 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-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
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-2010147975-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 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 (4 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 ALDH1A1 1670/4885KDM4E 2815/4885RGS4 1744/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1670/4885KDM4E 2815/4885RGS4 1744/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1705/4885KDM4E 3006/4885RGS4 1761/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1719/4885KDM4E 3088/4885RGS4 1847/4885

“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.