SCHEMBL297855

SCHEMBL297855

COc1ccc(C(=O)CN2C=CCC(C(=O)NNS(C)(=O)=O)=C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
GFER P55789 1/20 0.41
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
MGAM O43451 1/20 0.36
AMY1A P0DUB6 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL658639 0.87 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL660526 0.87 KAT6A (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL287138 0.86 GFER (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL660141 0.85 HTT (0.53) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL659354 0.77 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL662691 0.76 KMT2A (0.37) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL660454 0.75 KAT6A (0.51) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL297538 0.75 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL661709 0.75 ALDH1A1 (0.33) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL298474 0.75 SMN1; SMN2 (0.40) ALDH1A1KDM4EMEN1KMT2AMAPT

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
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US 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.