SCHEMBL8663375

SCHEMBL8663375

O=[N+]([O-])c1cccc2[nH]c(S)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.58
PKN2 Q16513 1/20 0.58
ADORA3 P0DMS8 1/20 0.52
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
PDE10A Q9Y233 1/20 0.47
NOS1 P29475 4/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NOS2 P35228 3/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
BLM P54132 2/20 0.43

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
SCHEMBL6332531 0.83 PKN1 (0.61) PKN1PKN2ADORA3MGAMGAA
SCHEMBL1013588 0.81 PKN1 (0.60) PKN1PKN2ADORA3MGAMGAA
SCHEMBL28603464 0.80 PKN1 (0.58) PKN1PKN2ADORA3MGAMGAA
SCHEMBL837903 0.80 PKN1 (0.58) PKN1PKN2ADORA3MGAMGAA
SCHEMBL6118599 0.80 PKN1 (0.58) PKN1PKN2ADORA3MGAMGAA
SCHEMBL30132368 0.80 PKN1 (0.58) PKN1PKN2ADORA3MGAMGAA
SCHEMBL6995989 0.79 PKN1 (0.57) PKN1PKN2ADORA3MGAMGAA
SCHEMBL18758077 0.79 PKN1 (0.57) PKN1PKN2ADORA3MGAMGAA
Dimethylamine SCHEMBL7486960 0.78 PKN1 (0.56) PKN1PKN2ADORA3MGAMGAA
SCHEMBL4354229 0.78 PKN1 (0.56) PKN1PKN2ADORA3MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
WO-2017064675-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH, INC. (US) 2017-04-20 WO disclosed
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed
EP-0229014-A2 Magnetic recording medium SONY CORPORATION (JP) 1987-07-15 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-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY PKN1 4143/4885PKN2 4581/4885ADORA3 3833/4885

“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.