SCHEMBL2607587

SCHEMBL2607587

C/N=C(\C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 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
SCHEMBL2607713 0.91 LMNA (0.61) LMNAMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL2607504 0.88 MAPT (0.73) LMNAMAPTALDH1A1MEN1TP53
SCHEMBL16939775 0.86 LMNA (0.56) LMNAMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL2607660 0.85 MAPT (0.82) LMNAMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL2607693 0.85 LMNA (0.55) LMNAMAPTALDH1A1
SCHEMBL16939779 0.85 LMNA (0.54) LMNAMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL2607606 0.84 LMNA (0.51) LMNAMAPTALDH1A1
SCHEMBL2607716 0.84 LMNA (0.51) LMNAMAPT
SCHEMBL2607553 0.83 LMNA (0.53) LMNAMAPTMEN1KMT2A
SCHEMBL2607546 0.83 MAPT (0.50) LMNAMAPTALDH1A1

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 4129/4885ALDH1A1 45/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 LMNA 3978/4885MAPT 4129/4885ALDH1A1 45/4885

“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.