SCHEMBL287649

SCHEMBL287649

O=C(CN1C=CCC(C(=O)NNC(=O)C2=CN(CC(=O)NC3CC3)C=CC2)=C1)NC1CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMYD3 Q9H7B4 3/20 0.36
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7810346 0.92 GRIN2B (0.36) GRIN2BALDH1A1CYP3A4HPGDCYP2C19
SCHEMBL661366 0.83 ALDH1A1 (0.41) ALDH1A1GAA
SCHEMBL660872 0.75 KDM4E (0.34) ALDH1A1LMNAGAA
SCHEMBL287385 0.69 ALDH1A1 (0.46) ALDH1A1HPGD
SCHEMBL660291 0.68 KMT2A (0.38) ALDH1A1HPGDLMNA
SCHEMBL660868 0.64 LMNA (0.33) ALDH1A1HPGDCYP2C19LMNAGAA
Hydrazine SCHEMBL27573162 0.62 HPGD (0.35) ALDH1A1CYP3A4HPGDCYP2C19SMYD3
SCHEMBL29636076 0.61 HPGD (0.41) ALDH1A1CYP3A4HPGDCYP2C19LMNA
SCHEMBL4154049 0.57
SCHEMBL7446957 0.57 SIGMAR1 (0.53) ALDH1A1LMNAGAA

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
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
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 GRIN2B 4265/4885ALDH1A1 676/4885CYP3A4 2128/4885

“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.