SCHEMBL2607586

SCHEMBL2607586

O=C(Cn1c(-c2nccs2)nc2ccccc21)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
TSHR P16473 2/20 0.58
MAPK1 P28482 2/20 0.58
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 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
SCHEMBL2607588 0.94 L3MBTL1 (0.56) L3MBTL1TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2607761 0.86 MAPT (0.67) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL13182352 0.84 MEN1 (0.53) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL2607373 0.83 MEN1 (0.56) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL2607490 0.83 MEN1 (0.66) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL2607543 0.83 MAPT (0.54) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL2607751 0.80 KDM4E (0.51) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2607609 0.74 KDM4E (0.55) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL28787631 0.73 THRB (0.77) SMN1; SMN2MAPT
SCHEMBL29728218 0.73 THRB (0.77) SMN1; SMN2MAPT

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 7 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
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 L3MBTL1 2101/4885TSHR 4832/4885MAPK1 3482/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 L3MBTL1 2101/4885TSHR 4832/4885MAPK1 3482/4885

“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.