SCHEMBL286969

SCHEMBL286969

O=C(NNc1ccccc1)C1=CN(CC(=O)c2cccs2)C=CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
GAA P10253 4/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP1 P29466 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 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
SCHEMBL661687 0.90 ERCC5 (0.43) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL661571 0.88 RAB9A (0.52) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL27871718 0.88 ERCC5 (0.43) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL660111 0.88 RAB9A (0.46) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL7799733 0.86 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL660856 0.85 CTNNB1 (0.40) ALDH1A1GAALMNATSHRRAB9A
SCHEMBL287206 0.84 PTGS2 (0.47) ALDH1A1GAAMEN1KMT2ACYP2C9
SCHEMBL660129 0.84 GAA (0.46) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL660093 0.83 ALDH1A1 (0.44) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL287773 0.82 ALDH1A1 (0.39) ALDH1A1GAALMNAMEN1KMT2A

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 676/4885GAA 194/4885LMNA 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.