SCHEMBL4931394

SCHEMBL4931394

CS(=O)(=O)c1ccccc1NCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.52
METAP2 P50579 3/20 0.51
APAF1 O14727 1/20 0.49
NPC1 O15118 1/20 0.49
NSD2 O96028 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
BLM P54132 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KAT2B Q92831 3/20 0.48
HRH3 Q9Y5N1 1/20 0.46
DRD2 P14416 1/20 0.46
SYK P43405 2/20 0.46
ADRA1A P35348 3/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL3838436 0.77 DRD3 (0.44) DRD3METAP2APAF1NPC1NSD2
SCHEMBL4922627 0.76 DRD3 (0.63) DRD3MAPTHTTKAT2BHRH3
SCHEMBL791880 0.75 DRD3 (0.61) DRD3APAF1NPC1NSD2MAPT
SCHEMBL13589520 0.74 KDM4E (0.50) APAF1NSD2MAPTADRA1AADRA2A
SCHEMBL11722763 0.73 DRD3 (0.59) DRD3APAF1NPC1NSD2MAPT
SCHEMBL5770043 0.73 DRD3 (0.59) DRD3APAF1NPC1NSD2MAPT
SCHEMBL4932077 0.73 MEN1 (0.61) DRD3APAF1NPC1NSD2MAPT
SCHEMBL27619286 0.73 L3MBTL1 (0.56) METAP2APAF1MAPTRAB9ABLM
SCHEMBL4930910 0.73 ACHE (0.62) DRD3SMN1; SMN2NPSR1HRH3MEN1
SCHEMBL5884397 0.72 DRD3 (0.57) DRD3APAF1NPC1NSD2MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 DRD3 2434/4885METAP2 4020/4885APAF1 476/4885

“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.