SCHEMBL299403

SCHEMBL299403

COc1ccc(C(=O)CN2CC=CC(C(=O)NNS(C)(=O)=O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GRIN2B Q13224 6/20 0.44
GRIN1 Q05586 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.40
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL287096 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL297538 0.70 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAGRIN2BGRIN1
SCHEMBL297855 0.68 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAGRIN2BGRIN1
SCHEMBL6500831 0.67 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL19190490 0.66 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL287258 0.66 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APKMPOLB
SCHEMBL15935698 0.65 ALDH1A1 (0.94) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL6398848 0.64 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAGRIN2BGRIN1
SCHEMBL15503835 0.64 ALDH1A1 (0.97) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL6400029 0.64 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAGRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885KDM4E 2916/4885LMNA 123/4885

“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.