SCHEMBL4943537

SCHEMBL4943537

O=S1(=O)Nc2ccccc2N1c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
PLD1 Q13393 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
OPRL1 P41146 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP7 P55210 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36
RECQL P46063 1/20 0.36
CRBN Q96SW2 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL4057477 0.81 SMN1; SMN2 (0.39) SMN1; SMN2GAAALDH1A1KDM4EOPRL1
SCHEMBL4057100 0.79 GRIN2D (0.37) SMN1; SMN2ALDH1A1KDM4EOPRL1RECQL
SCHEMBL4065508 0.77 RECQL (0.40) SMN1; SMN2GAAALDH1A1KDM4EOPRL1
SCHEMBL4059578 0.76 NPSR1 (0.37) ALDH1A1OPRL1CYP2C9CYP2C19CYP1A2
SCHEMBL4054128 0.76 OPRL1 (0.34) SMN1; SMN2KDM4EOPRL1RECQL
SCHEMBL3596885 0.74 PTPN1 (0.41) KDM4EOPRL1RECQL
SCHEMBL4942982 0.72 HTT (0.41) OPRL1CYP3A4EP300KAT2BHTT
SCHEMBL3600126 0.71 MGLL (0.39) SMN1; SMN2ALDH1A1KDM4EOPRL1HPGD
SCHEMBL3604966 0.71 MEN1 (0.39) ALDH1A1KDM4EOPRL1HSD17B10HPGD
SCHEMBL3598970 0.71 MGLL (0.39) SMN1; SMN2ALDH1A1KDM4EOPRL1RECQL

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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SMN1; SMN2 356/4885PLD1 4313/4885GAA 525/4885

“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.