SCHEMBL6358289

SCHEMBL6358289

CC(C)C(C(=O)O)N(CC(=O)c1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALOX5 P09917 1/20 0.44
HSD11B1 P28845 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL6350699 0.91 ALDH1A1 (0.47) ALDH1A1CRHBPCRHR2MAPK1LMNA
SCHEMBL6358298 0.87 TSHR (0.42) ALDH1A1MAPK1LMNACES1SMN1; SMN2
SCHEMBL6359362 0.87 TSHR (0.42) ALDH1A1MAPK1LMNACES1SMN1; SMN2
SCHEMBL6357072 0.83 POLB (0.44) ALDH1A1MAPK1LMNACES2CES1
SCHEMBL6350477 0.81 L3MBTL1 (0.51) ALDH1A1CES2CES1HSD11B1RAB9A
SCHEMBL6349879 0.80 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6350864 0.77 TRPM8 (0.47) ALDH1A1MAPK1LMNACES1SMN1; SMN2
SCHEMBL6359179 0.77 TRPM8 (0.47) ALDH1A1MAPK1LMNACES1SMN1; SMN2
SCHEMBL6350978 0.76 ALDH1A1 (0.45) ALDH1A1MAPK1LMNACES1RAB9A
SCHEMBL6349361 0.76 ALDH1A1 (0.45) ALDH1A1MAPK1LMNACES1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040097496-A1 Novel thiazine derivatives SANTEN PHARMACEUTICAL CO.,LTD. (JP) 2004-05-20 US disclosed
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 US disclosed
EP-1211249-A1 NOVEL THIAZINE OR PYRAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 EP 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 (1 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-20040097496-A1 Novel thiazine derivatives CMA1, TPSD1, HRH4 ALDH1A1 420/4885CRHBP 2373/4885CRHR2 819/4885

“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.