SCHEMBL6525182

SCHEMBL6525182

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 6/20 0.37
BACE2 Q9Y5Z0 4/20 0.37
POLB P06746 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
DRD2 P14416 1/20 0.34
MAPT P10636 3/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GNRHR P30968 1/20 0.34
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6525177 1.00 ALDH1A1 (0.40) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL4082830 0.87 BACE1 (0.43) BACE1BACE2
SCHEMBL6521457 0.85 BACE1 (0.40) BACE1BACE2
SCHEMBL6521452 0.85 BACE1 (0.40) BACE1BACE2
SCHEMBL1976755 0.82 ALDH1A1 (0.40) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL1976754 0.82 ALDH1A1 (0.40) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL14554864 0.81 BACE1 (0.42) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL14550984 0.81 BACE1 (0.42) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL4078671 0.80 ALDH1A1 (0.38) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL1442050 0.79 ALDH1A1 (0.40) ALDH1A1GAATHRBHTTL3MBTL1

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 ALDH1A1 248/4885GAA 2838/4885THRB 977/4885
US-20140221360-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES SLC5A2, SLC5A1, GLP1R ALDH1A1 248/4885GAA 2838/4885THRB 977/4885
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES SLC5A2, SLC5A1, GLP1R ALDH1A1 248/4885GAA 2838/4885THRB 977/4885

“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.