SCHEMBL3164694

SCHEMBL3164694

N#Cc1cc2c3ccccc3[s+]([O-])c2cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.36
MAOB P27338 4/20 0.36
IMPDH2 P12268 3/20 0.36
IMPDH1 P20839 2/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL205562 0.76 CYP2A6 (0.33) ALDH1A1TSHRTDP1
SCHEMBL30286606 0.76 CYP2A6 (0.33) ALDH1A1TSHRTDP1
SCHEMBL3163057 0.72 HPRT1 (0.34)
SCHEMBL14306804 0.71 IMPDH2 (0.48) MAOAMAOBIMPDH2IMPDH1NCOA3
SCHEMBL17297038 0.71 IMPDH2 (0.48) MAOAMAOBIMPDH2IMPDH1NCOA3
SCHEMBL3164250 0.69 BACE1 (0.34) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4924946 0.68 CYP2A6 (0.35) MEN1KMT2A
SCHEMBL11710597 0.68 ALDH1A1 (0.41) MAOAALDH1A1MEN1KMT2AMAPT
SCHEMBL11710324 0.68 CDK2 (0.36) ALDH1A1MEN1KMT2ADYRK1AAR
SCHEMBL3165760 0.68 NFE2L2 (0.37) MAOAMAOBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334956-B1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL CO (JP) 2010-03-17 EP disclosed
US-6916938-B2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-12 US disclosed
US-20030171589-A1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-11 US disclosed
EP-1334956-A2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-13 EP 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-20030171589-A1 Method for preparing sulfone or sulfoxide compound TST, SDHB, GPX4 MAOA 1893/4885MAOB 208/4885IMPDH2 2669/4885

“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.