SCHEMBL7902885

SCHEMBL7902885

CCc1ccc2c(c1)NS(=O)(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TRPA1 O75762 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KIF11 P52732 1/20 0.34
DAO P14920 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE7A Q13946 1/20 0.33
PDE7B Q9NP56 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
SCHEMBL22792161 0.85 CNR1 (0.40) PARP1NPC1MAPTRAB9ACA2
SCHEMBL13293326 0.83 MAOA (0.36) PDE7APDE7BCA12CA9CA2
SCHEMBL21249900 0.79 ESR1 (0.38) PDE7APDE7BCA12CA9CA2
SCHEMBL7901542 0.75 PARP1 (0.35) PARP1ALDH1A1KDM4EGAAHPGD
SCHEMBL7901973 0.75 PARP1 (0.38) PARP1ALDH1A1TRPA1SMN1; SMN2CYP1A2
SCHEMBL13293305 0.73 ALOX15 (0.48) ALDH1A1KDM4EGAACYP1A2LMNA
SCHEMBL4501749 0.72 CA12 (0.64) PARP1SMN1; SMN2HSD17B10CA12CA9
SCHEMBL10208304 0.71 PARP1 (0.54) PARP1ALDH1A1KDM4EGAAHPGD
SCHEMBL7903543 0.71 PARP1 (0.36) PARP1ALDH1A1KDM4EGAAHPGD
SCHEMBL7903032 0.71 ALDH1A1 (0.41) PARP1ALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 PARP1 4016/4885ALDH1A1 2444/4885KDM4E 773/4885
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods GABRA5, GABRA3, GABRA6 PARP1 4664/4885ALDH1A1 2225/4885KDM4E 3866/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 PARP1 4016/4885ALDH1A1 2444/4885KDM4E 773/4885

“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.