SCHEMBL18786151

SCHEMBL18786151

Nc1ncnc2[nH]c(SSc3nc4c(C(=O)O)cccc4[nH]3)nc12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
DHODH Q02127 15/20 0.44
PARP1 P09874 4/20 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
SCHEMBL18786057 0.84 KDM4E (0.59) KDM4EHPGDDHODHPARP1
SCHEMBL18786153 0.77 NUDT1 (0.43)
SCHEMBL7969798 0.74 DHODH (0.58) KDM4EHPGDDHODHPARP1
SCHEMBL8260543 0.72 KDM4E (0.60) KDM4EHPGDDHODHPARP1
SCHEMBL30052374 0.70 PARP1 (0.47) KDM4EHPGDDHODHPARP1
SCHEMBL5132695 0.69 LMNA (0.48)
SCHEMBL9725333 0.68 DHODH (0.77) KDM4EHPGDDHODHPARP1
SCHEMBL8952887 0.67 KDM4E (0.62) KDM4EHPGDDHODHPARP1
SCHEMBL7863163 0.67 PARP1 (0.63) KDM4EHPGDDHODHPARP1
SCHEMBL27720114 0.67 KDM4E (0.57) KDM4EHPGDDHODHPARP1

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-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 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-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY KDM4E 3411/4885HPGD 1025/4885DHODH 215/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY KDM4E 3411/4885HPGD 1025/4885DHODH 215/4885

“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.