SCHEMBL2134257

SCHEMBL2134257

CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.49
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ESRRA P11474 1/20 0.46
ATM Q13315 1/20 0.44
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2610108 0.89 SLC6A2 (0.46) SLC6A2SLC6A4ESRRAPPARGPPARA
SCHEMBL2132471 0.89 KDM4E (0.54) KLK7ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL2133364 0.82 KMT2A (0.55) KLK7SLC6A2SLC6A4ESRRAATM
SCHEMBL381154 0.80 NFKB1 (0.43) SLC6A2SLC6A4ESRRAATMMEN1
SCHEMBL10631675 0.78 TSHR (0.56) ATMMEN1ALDH1A1LMNAKMT2A
SCHEMBL11259835 0.78 TSHR (0.56) ATMMEN1ALDH1A1LMNAKMT2A
SCHEMBL16541204 0.77 LMNA (0.62) KLK7ATMMEN1LMNAKMT2A
SCHEMBL16541203 0.77 RAB9A (0.56) NPC1LMNASMN1; SMN2
SCHEMBL16541183 0.77 EPHX1 (0.43) SLC6A2SLC6A4MEN1NPC1ALDH1A1
SCHEMBL16541200 0.76 NPSR1 (0.53) SLC6A2SLC6A4MEN1NPC1LMNA

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 6 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-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

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 KLK7 3752/4885SLC6A2 719/4885SLC6A4 907/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KLK7 3752/4885SLC6A2 719/4885SLC6A4 907/4885

“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.