SCHEMBL2607748

SCHEMBL2607748

CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.85
USP2 O75604 1/20 0.85
ALDH1A1 P00352 1/20 0.85
LMNA P02545 1/20 0.85
ESR1 P03372 1/20 0.85
MAPT P10636 1/20 0.85
HPGD P15428 1/20 0.85
TSHR P16473 1/20 0.85
HSD17B10 Q99714 1/20 0.85
TP53 P04637 1/20 0.66
IMPDH2 P12268 2/20 0.64
CASP3 P42574 1/20 0.60
SENP7 Q9BQF6 1/20 0.60

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
SCHEMBL13182113 0.92 LMNA (1.00) KDM4EUSP2ALDH1A1LMNAESR1
SCHEMBL16939875 0.92 IMPDH2 (0.72) KDM4EUSP2ALDH1A1LMNAESR1
SCHEMBL16939840 0.92 IMPDH2 (0.72) KDM4EUSP2ALDH1A1LMNAESR1
SCHEMBL2607554 0.90 HPGD (0.81) KDM4EUSP2ALDH1A1LMNAESR1
SCHEMBL16939833 0.88 KDM4E (0.67) KDM4EUSP2ALDH1A1LMNAESR1
SCHEMBL16939852 0.88 IMPDH2 (0.81) KDM4EUSP2ALDH1A1LMNAESR1
SCHEMBL16939841 0.88 IMPDH2 (0.81) KDM4EUSP2ALDH1A1LMNAESR1
SCHEMBL16939837 0.88 IMPDH2 (0.81) KDM4EUSP2ALDH1A1LMNAESR1
SCHEMBL16939827 0.88 MAPT (0.66) KDM4EUSP2ALDH1A1LMNAESR1
SCHEMBL15597537 0.88 KDM4E (0.74) KDM4EUSP2ALDH1A1LMNAESR1

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-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 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
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 US 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 KDM4E 1620/4885USP2 3758/4885ALDH1A1 45/4885
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 KDM4E 2734/4885USP2 4322/4885ALDH1A1 57/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KDM4E 1620/4885USP2 3758/4885ALDH1A1 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.