SCHEMBL297732

SCHEMBL297732

CS(=O)(=O)NNC(=O)C1=CCCN(CC(=O)c2cc3ccccc3o2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 1/20 0.43
GAA P10253 4/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP13 P45452 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL287270 0.76 ALDH1A1 (0.47) GAALMNANPC1RAB9AMEN1
SCHEMBL287107 0.75 LMNA (0.43) BCAT1LMNANPC1RAB9AMEN1
SCHEMBL287111 0.73 HTT (0.37) GAANPC1RAB9AMEN1KMT2A
SCHEMBL10155752 0.63 FLT3 (0.67) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL3032755 0.63 FLT3 (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6240233 0.62 BCAT1 (1.00) BCAT1GAALMNANPC1RAB9A
SCHEMBL5161361 0.62 MAPT (0.68) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7381022 0.61 MMP13 (0.54) ALDH1A1HRH4HRH3MMP13POLB
SCHEMBL5158485 0.61 FLT3 (0.62) GAANPC1RAB9AMEN1KMT2A
SCHEMBL5163367 0.61 ALDH1A1 (0.68) LMNANPC1RAB9AMEN1KMT2A

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 BCAT1 859/4885GAA 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.