SCHEMBL2607663

SCHEMBL2607663

C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(Cl)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
MAPT P10636 2/20 0.71
POLB P06746 2/20 0.69
ALDH1A1 P00352 1/20 0.67
TSHR P16473 2/20 0.65
HTT P42858 1/20 0.64

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
SCHEMBL13182406 0.89 LMNA (0.80) LMNAMAPTPOLBALDH1A1TSHR
SCHEMBL2607695 0.89 MAPT (0.84) LMNAMAPTPOLBALDH1A1TSHR
SCHEMBL2607584 0.88 MAPT (0.81) LMNAMAPTPOLBALDH1A1TSHR
SCHEMBL13182098 0.87 MAPT (0.73) LMNAMAPTALDH1A1TSHR
SCHEMBL16541176 0.87 LMNA (0.72) LMNAMAPTPOLBALDH1A1TSHR
SCHEMBL12731636 0.87 MAPT (0.72) LMNAMAPTPOLBALDH1A1TSHR
SCHEMBL17182986 0.87 IDH1 (0.65) LMNAMAPTPOLBALDH1A1
SCHEMBL13182101 0.86 MAPT (0.71) LMNAMAPTPOLBALDH1A1TSHR
SCHEMBL2607683 0.85 MAPT (0.70) LMNAMAPTPOLBALDH1A1TSHR
SCHEMBL15597425 0.85 MAPT (0.70) LMNAMAPTALDH1A1TSHR

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-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
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 WO 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 LMNA 3978/4885MAPT 4129/4885POLB 2033/4885
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 LMNA 4240/4885MAPT 3597/4885POLB 1642/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 LMNA 3978/4885MAPT 4129/4885POLB 2033/4885

“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.