SCHEMBL298396

SCHEMBL298396

CS(=O)(=O)NNC(=O)C1=CCCN(CC(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
MAPT P10636 7/20 0.42
GAA P10253 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NSD2 O96028 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 6/20 0.34
KDM4E B2RXH2 2/20 0.34
MPI P34949 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GSK3B P49841 1/20 0.33
PLIN1 O60240 1/20 0.33
PLIN5 Q00G26 1/20 0.33

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
SCHEMBL297538 0.87 ALDH1A1 (0.50) ALDH1A1MAPTGAANSD2KMT2A
SCHEMBL287270 0.80 ALDH1A1 (0.47) ALDH1A1MAPTGAACYP2D6MAPK1
SCHEMBL287111 0.79 HTT (0.37) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL298004 0.74 GFER (0.52) ALDH1A1MAPTGAACYP3A4CYP2C19
SCHEMBL658639 0.74 ALDH1A1 (0.39) ALDH1A1MAPTGAACYP3A4CYP2D6
SCHEMBL15298888 0.67 ALDH1A1 (0.70) ALDH1A1MAPTGAACYP3A4CYP2D6
SCHEMBL1002669 0.65 ALDH1A1 (0.67) ALDH1A1MAPTGAACYP3A4CYP2D6
SCHEMBL27573193 0.65 KAT6A (0.35) ALDH1A1MAPTGAACYP3A4MAPK1
SCHEMBL660526 0.62 KAT6A (0.35) ALDH1A1MAPTGAACYP3A4MAPK1
SCHEMBL6035088 0.62 ALDH1A1 (0.61) ALDH1A1MAPTGAACYP3A4CYP2D6

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 676/4885MAPT 61/4885GAA 194/4885

“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.