SCHEMBL2610107

SCHEMBL2610107

O=C(Nc1ccc(Br)cc1)C(Oc1cccc2ccccc12)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
S1PR3 Q99500 1/20 0.42
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 2/20 0.41
FPR2 P25090 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL10177149 0.94 MEN1 (0.43) MEN1KMT2AS1PR3LMNARAB9A
SCHEMBL381154 0.88 NFKB1 (0.43) MEN1KMT2ALMNAL3MBTL1SLC6A2
SCHEMBL16541183 0.83 EPHX1 (0.43) MEN1KMT2AS1PR3LMNAL3MBTL1
SCHEMBL16541200 0.81 NPSR1 (0.53) MEN1KMT2ALMNASLC6A2SLC6A4
SCHEMBL10176508 0.80 KMT2A (0.55) MEN1KMT2AS1PR3LMNAL3MBTL1
SCHEMBL2610108 0.79 SLC6A2 (0.46) MEN1KMT2AS1PR3LMNAL3MBTL1
SCHEMBL9540128 0.77 ALDH1A1 (0.48) MEN1KMT2ALMNAL3MBTL1SLC6A2
SCHEMBL380312 0.77 MEN1 (0.51) MEN1KMT2ALMNAL3MBTL1SLC6A2
SCHEMBL380244 0.72 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1SLC6A2SLC6A4
SCHEMBL10176505 0.70 MEN1 (0.73) MEN1KMT2ALMNAL3MBTL1POLB

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-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 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 (2 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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MEN1 3561/4885KMT2A 3016/4885S1PR3 786/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MEN1 3561/4885KMT2A 3016/4885S1PR3 786/4885

“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.