SCHEMBL6493904

SCHEMBL6493904

CN1CCC(C(=O)NC(COCc2ccccc2)C(=O)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.40
CCKBR P32239 3/20 0.38
POLB P06746 1/20 0.37
HDAC1 Q13547 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
UGCG Q16739 2/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
FLT3 P36888 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KIT P10721 1/20 0.34
CAPN1 P07384 1/20 0.34

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
SCHEMBL6482638 0.87 S1PR1 (0.39) S1PR1CCKBR
SCHEMBL6493735 0.86 SCN1A (0.35) UGCGSCN1ASCN2ASCN3AFLT3
SCHEMBL6482436 0.84 HDAC1 (0.40) POLBHDAC1GSK3AGSK3BMKNK1
SCHEMBL6480782 0.81 GHSR (0.46)
SCHEMBL6480136 0.81 S1PR1 (0.36) S1PR1
SCHEMBL6481410 0.81 PPARA (0.34) S1PR1
SCHEMBL6481850 0.80 MEN1 (0.45) HTR1AHTR1BHTR2AHTR2CHTR2B
SCHEMBL6481449 0.77 F2 (0.39) UGCGFLT3
SCHEMBL6480795 0.77 F2 (0.39) FLT3KIT
SCHEMBL6481377 0.76 FOLH1 (0.30)

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-20050261332-A1 Sulfonamides and uses thereof ELIXIR PHARMACEUTICALS, INC. 2005-11-24 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-20050261332-A1 Sulfonamides and uses thereof GLS2, STS, ABAT S1PR1 2194/4885CCKBR 3240/4885POLB 2579/4885

“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.