SCHEMBL10177081

SCHEMBL10177081

CC(C)(C)NC(=O)Cc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ POLB P06746 2/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ LMNA P02545 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.61
▸ PARP1 P09874 3/20 0.53
▸ PRMT5 O14744 1/20 0.51
▸ AR P10275 4/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GAA P10253 1/20 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
SCHEMBL31375983 0.83 SMN1; SMN2 (0.46) SMN1; SMN2POLBKDM4ELMNAALDH1A1
SCHEMBL9328808 0.78 SMN1; SMN2 (1.00) SMN1; SMN2POLBKDM4ELMNAALDH1A1
SCHEMBL2610104 0.78 KDM4E (1.00) SMN1; SMN2POLBKDM4ELMNAALDH1A1
SCHEMBL2610119 0.77 KDM4E (0.67) SMN1; SMN2POLBKDM4ELMNAALDH1A1
SCHEMBL10177083 0.77 KMT2A (0.65) SMN1; SMN2POLBKDM4ELMNAALDH1A1
SCHEMBL30151141 0.77 LMNA (1.00) SMN1; SMN2POLBKDM4ELMNAALDH1A1
SCHEMBL5717747 0.77 LMNA (1.00) SMN1; SMN2POLBKDM4ELMNAALDH1A1
SCHEMBL4931969 0.76 LMNA (0.73) SMN1; SMN2POLBKDM4ELMNAALDH1A1
SCHEMBL5010738 0.76 SMN1; SMN2 (1.00) SMN1; SMN2POLBKDM4ELMNAALDH1A1
SCHEMBL10177084 0.75 SMN1; SMN2 (0.54) SMN1; SMN2POLBKDM4ELMNAALDH1A1

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 4 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
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 (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 SMN1; SMN2 4251/4885POLB 2033/4885KDM4E 1620/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 SMN1; SMN2 4251/4885POLB 2033/4885KDM4E 1620/4885

“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.

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