SCHEMBL7839293

SCHEMBL7839293

COc1ccc(Cn2cc(I)c(=O)[nH]c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
CMA1 P23946 1/20 0.49
DAO P14920 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL12169429 0.85 HPGD (0.59) HPGDMAPTTP53
SCHEMBL7833153 0.84 HPGD (0.70) HPGD
SCHEMBL12501015 0.82 MEN1 (0.49) MEN1KMT2AHPGDCMA1DAO
SCHEMBL7840035 0.82 MEN1 (0.71) MEN1KMT2AHPGDCMA1DAO
SCHEMBL4176930 0.82 TYMP (0.48) TYMPMEN1KMT2AHPGDDAO
SCHEMBL4172709 0.81 HPGD (0.67) TYMPMEN1KMT2AHPGDDAO
SCHEMBL7830417 0.79 L3MBTL1 (0.64) MEN1KMT2AHPGDCMA1DAO
SCHEMBL4172004 0.78 HPGD (0.44) MEN1KMT2AHPGDDAO
SCHEMBL12410767 0.78 MMP13 (0.50) MEN1KMT2AHPGDCMA1DAO
SCHEMBL17243375 0.78 MMP13 (0.50) MEN1KMT2AHPGDCMA1DAO

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 9 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-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-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
WO-2010147969-A2 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-2010147973-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 TYMP 702/4885MEN1 3454/4885KMT2A 3709/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 TYMP 702/4885MEN1 3454/4885KMT2A 3709/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 TYMP 697/4885MEN1 3513/4885KMT2A 3849/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 TYMP 704/4885MEN1 3509/4885KMT2A 3871/4885

“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.