SCHEMBL18757802

SCHEMBL18757802

CSc1ccncc1C(=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM5A P29375 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 2/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC22A12 Q96S37 3/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL18757901 0.88 TDP1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL18776110 0.82 SLC22A12 (0.42) SIRT3TDP1SLC22A12
SCHEMBL3074800 0.80 KDM4C (0.49) CA12CA1CA2CA9CA14
SCHEMBL1327240 0.79 SIRT3 (0.59) CA12CA1CA2CA9CA14
SCHEMBL14907222 0.77 SIRT3 (0.61) SIRT3TDP1KMT2AMEN1KDM5A
SCHEMBL18757900 0.77 TDP1 (0.43) SIRT3TDP1KMT2AMEN1KDM5A
SCHEMBL12261135 0.77 KDM5A (0.44) SIRT3TDP1KMT2AMEN1KDM5A
SCHEMBL5700424 0.75 TDP1 (0.42) LMNASIRT3TDP1KMT2AMEN1
SCHEMBL827419 0.75 ROCK2 (0.51) SIRT3TDP1KMT2AMEN1KDM5A
SCHEMBL5700320 0.75 ALDH1A1 (0.42) LMNASIRT3TDP1KMT2AMEN1

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-3362100-B1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2022-06-22 EP disclosed
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
WO-2017064675-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH, INC. (US) 2017-04-20 WO 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 CA12 335/4885CA1 804/4885CA2 2233/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY CA12 335/4885CA1 804/4885CA2 2233/4885

“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.