SCHEMBL409058

SCHEMBL409058

O=C(COc1cccc2ccccc12)Nc1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
HPGD P15428 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.67
TRPM4 Q8TD43 1/20 0.67
POLB P06746 1/20 0.65
G6PD P11413 1/20 0.65
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.64
DAPK1 P53355 1/20 0.64
PIM3 Q86V86 1/20 0.64
OGG1 O15527 1/20 0.62
TP53 P04637 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL12003962 0.89 MEN1 (0.80) MEN1KMT2AHPGDSMN1; SMN2TRPM4
SCHEMBL10176509 0.88 MEN1 (0.74) MEN1KMT2AHPGDSMN1; SMN2TRPM4
SCHEMBL10176511 0.86 MEN1 (0.73) MEN1KMT2AHPGDSMN1; SMN2POLB
SCHEMBL10176505 0.86 MEN1 (0.73) MEN1KMT2AHPGDSMN1; SMN2TRPM4
SCHEMBL30776644 0.84 MEN1 (1.00) MEN1KMT2AHPGDSMN1; SMN2TRPM4
SCHEMBL9041433 0.84 KMT2A (0.77) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL16626998 0.83 MEN1 (0.68) MEN1KMT2AHPGDSMN1; SMN2TRPM4
SCHEMBL10176504 0.83 KMT2A (0.68) MEN1KMT2AHPGDSMN1; SMN2TRPM4
SCHEMBL13515783 0.81 HPGD (0.72) MEN1KMT2AHPGDSMN1; SMN2POLB
SCHEMBL15285872 0.80 MAPT (0.74) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125116-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2018-11-13 US disclosed
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-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-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
EP-2408753-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS Brandeis University (US) 2012-01-25 EP disclosed
WO-2010108187-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2010-09-23 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 (3 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 3016/4885HPGD 35/4885
US-10125116-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections IMPDH1, IMPDH2, IMPA1 MEN1 3561/4885KMT2A 3016/4885HPGD 35/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MEN1 3561/4885KMT2A 3016/4885HPGD 35/4885

“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.