SCHEMBL2607684

SCHEMBL2607684

C/N=C(\C)c1cccc(C(C)(C)NC(=O)Nc2ccc3cccnc3c2)c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL16933410 0.92 TSHR (0.52) TSHRHTTPOLBLMNAMAPT
SCHEMBL16933409 0.92 TSHR (0.52) TSHRHTTPOLBLMNAMAPT
SCHEMBL2607689 0.92 TSHR (0.52) TSHRHTTPOLBLMNAMAPT
SCHEMBL2607507 0.91 LMNA (0.59) TSHRHTTPOLBLMNAMAPT
SCHEMBL2610060 0.90 MEN1 (0.50) TSHRHTTPOLB
SCHEMBL2607703 0.88 TSHR (0.68) TSHRHTTPOLBLMNAMAPT
SCHEMBL2607693 0.86 LMNA (0.55) LMNAMAPT
SCHEMBL2607707 0.83 MAPT (0.60) TSHRHTTPOLBLMNAMAPT
SCHEMBL2607708 0.80 TSHR (0.68) TSHRHTTPOLBLMNAMAPT
SCHEMBL2607587 0.80 LMNA (0.61) LMNAMAPT

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 TSHR 4832/4885HTT 4500/4885POLB 2033/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 TSHR 4832/4885HTT 4500/4885POLB 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.