SCHEMBL2607797

SCHEMBL2607797

CC(=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
LMNA P02545 3/20 0.60
MAPK1 P28482 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ATM Q13315 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL2607553 0.91 LMNA (0.53) MAPTLMNAMAPK1NPC1RAB9A
SCHEMBL2607556 0.91 LMNA (0.53) MAPTLMNAMAPK1NPC1RAB9A
SCHEMBL13182374 0.88 LMNA (0.59) MAPTLMNAMEN1KMT2AGAA
SCHEMBL2607585 0.83 LMNA (0.64) MAPTLMNASMN1; SMN2
SCHEMBL2607504 0.82 MAPT (0.73) MAPTLMNANPC1RAB9AMEN1
SCHEMBL15597445 0.81 MAPT (0.65) MAPTLMNAALDH1A1TSHR
SCHEMBL2607686 0.81 MAPT (0.61) MAPTLMNAALDH1A1TSHR
SCHEMBL2607608 0.81 MAPT (0.61) MAPTLMNAALDH1A1TSHR
SCHEMBL16939772 0.81 LMNA (0.64) MAPTLMNA
SCHEMBL2607604 0.80 MAPT (0.60) MAPTLMNAALDH1A1TSHR

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 MAPT 4129/4885LMNA 3978/4885MAPK1 3482/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MAPT 4129/4885LMNA 3978/4885MAPK1 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.