SCHEMBL2607667

SCHEMBL2607667

CC(=O)c1cccc(C(C)(C)NC(=O)Nc2cccc(C)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
POLB P06746 1/20 0.58
MEN1 O00255 2/20 0.57
HTT P42858 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL16541176 0.91 LMNA (0.72) LMNAMAPTPOLBMEN1HTT
SCHEMBL2607504 0.90 MAPT (0.73) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL8606898 0.86 HSD17B10 (0.53) MAPTMEN1HTTKMT2ASMN1; SMN2
SCHEMBL13182120 0.86 MAPT (0.65) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL2607695 0.86 MAPT (0.84) LMNAMAPTPOLBHTTALDH1A1
SCHEMBL13182100 0.83 MAPT (0.72) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL13182096 0.83 LMNA (0.72) LMNAMAPTALDH1A1
SCHEMBL16939772 0.83 LMNA (0.64) LMNAMAPT
SCHEMBL2607585 0.83 LMNA (0.64) LMNAMAPTSMN1; SMN2
SCHEMBL2607700 0.82 MAPT (0.67) LMNAMAPTALDH1A1TSHR

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 LMNA 3978/4885MAPT 4129/4885POLB 2033/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 LMNA 3978/4885MAPT 4129/4885POLB 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.