SCHEMBL2607598

SCHEMBL2607598

O=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
MAPT P10636 1/20 0.69
NOD1 Q9Y239 1/20 0.62
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 1/20 0.61
CBX7 O95931 1/20 0.56
CDYL2 Q8N8U2 1/20 0.56
CDYL Q9Y232 1/20 0.56
CDY1; CDY1B Q9Y6F8 1/20 0.56
BCHE P06276 1/20 0.55
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 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
SCHEMBL2607369 0.86 KDM4E (0.71) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL2607350 0.85 KDM4E (0.62) MEN1KMT2AKDM4EHSD17B10BCHE
SCHEMBL2610217 0.85 KDM4E (0.62) MEN1KMT2AKDM4EHSD17B10LMNA
SCHEMBL2607470 0.85 KDM4E (0.69) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL2607517 0.84 MEN1 (0.73) MEN1KMT2AMAPTNOD1KDM4E
SCHEMBL15643360 0.84 MEN1 (0.71) MEN1KMT2AKDM4EHSD17B10BCHE
SCHEMBL2607755 0.83 MEN1 (0.65) MEN1KMT2AMAPTNOD1KDM4E
SCHEMBL2607761 0.82 MAPT (0.67) MEN1KMT2AMAPTNOD1KDM4E
SCHEMBL16541182 0.82 MEN1 (1.00) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL10175640 0.82 KDM4E (0.58) KMT2AMAPTKDM4EHSD17B10BCHE

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 MEN1 3561/4885KMT2A 3016/4885MAPT 4129/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MEN1 3561/4885KMT2A 3016/4885MAPT 4129/4885

“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.