SCHEMBL6071237

SCHEMBL6071237

COC(=O)CC(N)(c1ccccc1OC)c1csc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
HTR1D P28221 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 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
SCHEMBL6070971 0.71 MEN1 (0.44) MAPTPKMHPGDKMT2AKDM4E
SCHEMBL6070972 0.71 MAPT (0.39) MAPTTP53KMT2AKDM4EMEN1
SCHEMBL27810414 0.71 GAA (0.46) HPGDKMT2AMEN1APLNRCTSD
SCHEMBL6071101 0.71 RAB9A (0.47) MAPTTP53HPGDKMT2AKDM4E
SCHEMBL4232293 0.69 PKM (0.46) MAPTTP53PKMHPGDKMT2A
SCHEMBL7136162 0.69 HDAC3 (0.55) HTR1AHTR1DMAPTTP53PKM
SCHEMBL10990712 0.68 PKM (0.56) MAPTTP53PKMKMT2AMEN1
SCHEMBL1470493 0.67 SMN1; SMN2 (0.58) MAPTTP53PKMHDAC1HDAC6
SCHEMBL6071234 0.66 HTR1A (0.41) HTR1AHTR1DMAPTTP53PKM
SCHEMBL8311679 0.66 PKM (0.45) MAPTTP53PKMHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 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 (2 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 HTR1A 790/4885HTR1D 1804/4885MAPT 1994/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 HTR1A 805/4885HTR1D 1632/4885MAPT 1732/4885

“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.