SCHEMBL2607664

SCHEMBL2607664

Cc1ccc(NC(=O)N[C@H](C)c2cccc3ccccc23)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.68
▸ EPHX2 P34913 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL13182225 0.91 IDH1 (0.62) IDH1EPHX2
SCHEMBL31616378 0.84 IDH1 (0.63) IDH1EPHX2SMN1; SMN2
SCHEMBL31616414 0.84 IDH1 (0.63) IDH1EPHX2SMN1; SMN2
SCHEMBL31616431 0.84 IDH1 (0.63) IDH1EPHX2SMN1; SMN2
SCHEMBL31616459 0.84 IDH1 (0.69) IDH1EPHX2
SCHEMBL31616462 0.84 IDH1 (0.69) IDH1EPHX2
SCHEMBL31616396 0.84 IDH1 (0.69) IDH1EPHX2
SCHEMBL15702752 0.82 IDH1 (1.00) IDH1
SCHEMBL2607661 0.81 IDH1 (0.66) IDH1EPHX2SMN1; SMN2
SCHEMBL31616405 0.80 MTOR (0.67) IDH1EPHX2

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 IDH1 87/4885EPHX2 121/4885SMN1; SMN2 4251/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 IDH1 87/4885EPHX2 121/4885SMN1; SMN2 4251/4885

“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.

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