SCHEMBL2607589

SCHEMBL2607589

COc1cccc(NC(=O)Cn2c(C3=CCC=N3)nc3ccccc32)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.65
HSD17B10 Q99714 1/20 0.65
PIN1 Q13526 1/20 0.56
TSHR P16473 1/20 0.55
BCHE P06276 2/20 0.54
CBX7 O95931 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CDYL2 Q8N8U2 1/20 0.52
CDYL Q9Y232 1/20 0.52
CDY1; CDY1B Q9Y6F8 1/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NTRK1 P04629 1/20 0.49
NTRK2 Q16620 1/20 0.49

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
SCHEMBL2607497 0.90 LMNA (0.54) USP2HSD17B10BCHESMN1; SMN2MAPT
SCHEMBL2607480 0.86 BCHE (0.62) BCHESMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2607755 0.85 MEN1 (0.65) BCHECBX7SMN1; SMN2CDYL2CDYL
SCHEMBL2607735 0.83 KMT2A (0.63) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2607484 0.82 MAPT (0.61) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL2607491 0.82 KDM4E (0.52) BCHEMAPTMEN1KMT2AKDM4E
SCHEMBL2610186 0.81 MEN1 (0.76) USP2HSD17B10TSHRMAPTMEN1
SCHEMBL2607466 0.81 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1
SCHEMBL2607488 0.81 KMT2A (0.54) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2607447 0.81 KMT2A (0.64) MAPTMEN1KMT2AKDM4EALDH1A1

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 3 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

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 USP2 3758/4885HSD17B10 542/4885PIN1 240/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 USP2 3758/4885HSD17B10 542/4885PIN1 240/4885

“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.