SCHEMBL287364

SCHEMBL287364

O=C(CN1CCCC(C(=O)NNS(=O)(=O)c2ccccc2)C1)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
NPY5R Q15761 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 2/20 0.44
CASP1 P29466 1/20 0.44
GAA P10253 4/20 0.44
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL661997 0.89 ALDH1A1 (0.49) ALDH1A1NPY5RL3MBTL1CYP2D6KDM4E
SCHEMBL287351 0.87 ALDH1A1 (0.51) ALDH1A1L3MBTL1CYP2D6KDM4ECASP1
SCHEMBL660456 0.80 ALDH1A1 (0.55) ALDH1A1L3MBTL1CYP2D6KDM4EKMT2A
SCHEMBL27854960 0.79 ALDH1A1 (0.47) ALDH1A1CYP2D6KDM4ECASP1GAA
SCHEMBL287681 0.75 ALDH1A1 (0.55) ALDH1A1CYP2D6KDM4EGAAPKM
SCHEMBL287300 0.74 ALDH1A1 (0.48) ALDH1A1NPY5RKDM4ECASP1GAA
SCHEMBL28079639 0.72 ALDH1A1 (0.70) ALDH1A1L3MBTL1CYP2D6GAAKMT2A
SCHEMBL660676 0.71 KMT2A (0.38) ALDH1A1KDM4EGAAKMT2ALMNA
SCHEMBL287258 0.71 ALDH1A1 (0.52) ALDH1A1PKMKMT2AMEN1
SCHEMBL7202113 0.69 GAA (0.76) ALDH1A1NPY5RGAAKMT2ALMNA

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 676/4885NPY5R 978/4885L3MBTL1 4711/4885

“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.