SCHEMBL10175685

SCHEMBL10175685

O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)Nc1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.65
▸ KDM4E B2RXH2 5/20 0.59
▸ POLB P06746 4/20 0.59
▸ RAB9A P51151 6/20 0.58
▸ KMT2A Q03164 8/20 0.57
▸ MEN1 O00255 6/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ LMNA P02545 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ GAA P10253 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ NOX1 Q9Y5S8 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL22425113 0.82 MAPT (0.62) MAPTKDM4EPOLBRAB9AKMT2A
SCHEMBL22425076 0.82 MAPT (0.74) MAPTKDM4ERAB9AKMT2AMEN1
SCHEMBL20777328 0.81 MAPT (0.75) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL22425250 0.80 MAPT (0.65) MAPTKDM4ERAB9AKMT2AMEN1
SCHEMBL24430209 0.79 MAPT (1.00) MAPTKDM4EPOLBRAB9AKMT2A
SCHEMBL22425034 0.78 MAPT (0.77) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL20772662 0.77 MAPT (0.69) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL1276481 0.77 KDM4E (0.82) MAPTKDM4EPOLBRAB9AKMT2A
SCHEMBL30393282 0.77 KDM4E (0.82) MAPTKDM4EPOLBRAB9AKMT2A
SCHEMBL22425089 0.76 KMT2A (0.66) MAPTKDM4EPOLBKMT2AMEN1

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 MAPT 4129/4885KDM4E 1620/4885POLB 2033/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MAPT 4129/4885KDM4E 1620/4885POLB 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.

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