SCHEMBL6527615

SCHEMBL6527615

CCC1(c2cc([N+](=O)[O-])ccc2F)CCSC(N)=N1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.49
BACE2 Q9Y5Z0 6/20 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
SCHEMBL6527613 1.00 BACE1 (0.49) BACE1BACE2
SCHEMBL12789116 0.88 BACE2 (0.45) BACE1BACE2
SCHEMBL4074340 0.84 BACE1 (0.58) BACE1BACE2
SCHEMBL6521625 0.82 BACE1 (0.46) BACE1BACE2
SCHEMBL1978209 0.81 BACE1 (0.47) BACE1BACE2
SCHEMBL1978212 0.81 BACE1 (0.47) BACE1BACE2
SCHEMBL6521619 0.79 BACE1 (0.47) BACE1BACE2
SCHEMBL6521621 0.79 BACE1 (0.47) BACE1BACE2
SCHEMBL27876351 0.78 BACE1 (0.39) BACE1BACE2
SCHEMBL2586144 0.78 BACE1 (0.45) BACE1BACE2

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-20140221360-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US disclosed
US-20130096107-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE INC. (US) 2013-04-18 US disclosed
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 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 (3 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-20130096107-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES SLC5A2, SLC5A1, GLP1R BACE1 2843/4885BACE2 1846/4885
US-20140221360-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES SLC5A2, SLC5A1, GLP1R BACE1 2843/4885BACE2 1846/4885
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES SLC5A2, SLC5A1, GLP1R BACE1 2843/4885BACE2 1846/4885

“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.