SCHEMBL1978006

SCHEMBL1978006

CCC(=O)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
LMNA P02545 4/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 7/20 0.51
HTT P42858 3/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
THRB P10828 1/20 0.50
HIF1A Q16665 1/20 0.50
TP53 P04637 1/20 0.49
RORC P51449 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL12709974 0.87 ALDH1A1 (0.48) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL10619444 0.85 ALDH1A1 (0.51) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL7090078 0.84 GSK3B (0.56) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL29571878 0.84 GSK3B (0.56) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL6524346 0.83 ALDH1A1 (0.49) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL27400561 0.82 GPR35 (0.51) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL9044256 0.82 TDP1 (0.54) MAPTKMT2AALDH1A1HTTGAA
SCHEMBL6554327 0.82 ALDH1A1 (0.55) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL29365364 0.82 L3MBTL1 (0.62) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL6565927 0.82 L3MBTL1 (0.62) MAPTMEN1KMT2AMAPK1ALDH1A1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
US-20140323469-A1 1,4 OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2014-10-30 US disclosed
US-20140323469-A1 1,4 OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2014-10-30 US disclosed
EP-2509966-B1 AMINO OXAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-22 EP disclosed
US-8815841-B2 1,4-Oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-08-26 US disclosed
US-8815841-B2 1,4-Oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-08-26 US disclosed
US-20140221360-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US disclosed
US-20140221360-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US disclosed
US-20140221360-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US disclosed
US-8748418-B2 1,4-oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-06-10 US disclosed
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US disclosed
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US disclosed
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US disclosed
WO-2011029803-A1 2 -AMINODIHYDRO [1, 3] THIAZINES AS BACE 2 INHIBITORS FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US disclosed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US disclosed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US disclosed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US disclosed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP disclosed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 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 (7 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-20060142313-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 MAPT 2039/4885LMNA 3659/4885POLB 2891/4885
US-20140221360-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES SLC5A2, SLC5A1, GLP1R MAPT 3406/4885LMNA 4036/4885POLB 4630/4885
US-20140323469-A1 1,4 OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE1, BACE2, PSEN2 MAPT 49/4885LMNA 3909/4885POLB 2519/4885
US-20110065695-A1 USE OF AMINODIHYDROTHIAZINES FOR THE TREATMENT OR PREVENTION OF DIABETES SLC5A2, SLC5A1, GLP1R MAPT 3406/4885LMNA 4036/4885POLB 4630/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A MAPT 2759/4885LMNA 4526/4885POLB 4018/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 MAPT 2039/4885LMNA 3659/4885POLB 2891/4885
US-20180057465-A1 Inhibitors of Necroptosis RIPK3, RIPK1, AIFM1 MAPT 3003/4885LMNA 1012/4885POLB 3512/4885

“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.