SCHEMBL10176504

SCHEMBL10176504

N#Cc1ccc(NC(=O)COc2cccc3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 3/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.60
DAPK1 P53355 1/20 0.60
PIM3 Q86V86 1/20 0.60
OGG1 O15527 1/20 0.58
TP53 P04637 1/20 0.56
MAPT P10636 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
GAA P10253 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TRPM4 Q8TD43 1/20 0.51
CEPT1 Q9Y6K0 2/20 0.50
POLB P06746 2/20 0.50

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 0.85 MEN1 (0.80) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL10176509 0.84 MEN1 (0.74) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL10176505 0.83 MEN1 (0.73) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL409058 0.83 MEN1 (0.73) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL10176511 0.83 MEN1 (0.73) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL30776644 0.81 MEN1 (1.00) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9041433 0.81 KMT2A (0.77) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL16626998 0.80 MEN1 (0.68) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL27090166 0.79 NAMPT (0.73) KMT2AALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL14567953 0.78 MEN1 (0.61) KMT2AMEN1ALDH1A1KDM4EHPGD

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 KMT2A 3016/4885MEN1 3561/4885ALDH1A1 45/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KMT2A 3016/4885MEN1 3561/4885ALDH1A1 45/4885

“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.