SCHEMBL2607592

SCHEMBL2607592

O=C(Cn1c(C2=CCC=N2)nc2ccccc21)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GRIN2B Q13224 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL13182216 0.79 KDM4E (0.67) TP53CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL2607466 0.75 KDM4E (0.52) ALDH1A1MEN1KMT2A
SCHEMBL8599093 0.75 MAPT (0.75) TP53CYP3A4CYP2C19ALDH1A1MEN1
SCHEMBL2607735 0.73 KMT2A (0.63) CYP2C19ALDH1A1MEN1KMT2AMAPT
SCHEMBL17824298 0.72 CYP3A4 (0.66) TP53CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL2607484 0.72 MAPT (0.61) TP53ALDH1A1MEN1HPGDKMT2A
SCHEMBL2607458 0.72 TP53 (0.53) TP53TSHRALDH1A1MEN1KMT2A
SCHEMBL2607488 0.72 KMT2A (0.54) ALDH1A1MEN1KMT2AMAPT
SCHEMBL2607447 0.72 KMT2A (0.64) CYP2C19ALDH1A1MEN1KMT2AMAPT
SCHEMBL2607486 0.72 KDM4E (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2

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 TP53 3224/4885CYP3A4 226/4885CYP2C19 267/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 TP53 3224/4885CYP3A4 226/4885CYP2C19 267/4885

“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.