SCHEMBL7840035

SCHEMBL7840035

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
DTYMK P23919 1/20 0.56
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 1/20 0.49
CMA1 P23946 1/20 0.49
DAO P14920 1/20 0.48
MAPT P10636 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL8022167 0.85 MEN1 (0.66) MEN1KMT2ADTYMKALDH1A1HPGD
SCHEMBL7833153 0.84 HPGD (0.70) HPGD
SCHEMBL7839293 0.82 TYMP (0.52) MEN1KMT2AALDH1A1HPGDCMA1
SCHEMBL12501015 0.82 MEN1 (0.49) MEN1KMT2AALDH1A1HPGDCMA1
SCHEMBL12501006 0.82 KMT2A (0.66) MEN1KMT2ADTYMKALDH1A1CYP1A2
SCHEMBL1717207 0.81 MEN1 (0.78) MEN1KMT2ADTYMKCYP1A2CYP2C19
SCHEMBL12410767 0.81 MMP13 (0.50) MEN1KMT2AALDH1A1HPGDCMA1
SCHEMBL12410775 0.80 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDCMA1
SCHEMBL7830417 0.79 L3MBTL1 (0.64) MEN1KMT2AALDH1A1HPGDCMA1
SCHEMBL17243375 0.78 MMP13 (0.50) MEN1KMT2AALDH1A1HPGDCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20110166096-A1 URACIL DERIVATIVES AND USE THEREOF RESPROTECT GMBH (DE) 2011-07-07 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 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-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
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
WO-2009076337-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-18 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 (8 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MEN1 3833/4885KMT2A 3472/4885DTYMK 2399/4885
US-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MEN1 3454/4885KMT2A 3709/4885DTYMK 2146/4885
US-20110166096-A1 URACIL DERIVATIVES AND USE THEREOF TYMP, UNG, DPYD MEN1 2207/4885KMT2A 3185/4885DTYMK 49/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MEN1 3454/4885KMT2A 3709/4885DTYMK 2146/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MEN1 3513/4885KMT2A 3849/4885DTYMK 1995/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 MEN1 3855/4885KMT2A 3325/4885DTYMK 1638/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MEN1 3509/4885KMT2A 3871/4885DTYMK 2040/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MEN1 3833/4885KMT2A 3472/4885DTYMK 2399/4885

“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.