SCHEMBL23975144

SCHEMBL23975144

O=C(CNc1ccccc1)NCCOCCOCCNC(=O)C1=CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ERCC1 P07992 2/20 0.40
ERCC4 Q92889 2/20 0.40
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
CTSK P43235 1/20 0.37
HDAC10 Q969S8 2/20 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
SCHEMBL23975137 0.73 CTSK (0.48) SMN1; SMN2ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL23975141 0.72 HDAC2 (0.42) SMN1; SMN2RAB9AHDAC3HDAC4HDAC1
SCHEMBL29088335 0.72 CTSK (0.52) SMN1; SMN2ALDH1A1GAARAB9AKMT2A
SCHEMBL30465000 0.72 CTSK (0.52) SMN1; SMN2ALDH1A1GAARAB9AKMT2A
SCHEMBL29088342 0.71 CTSK (0.46) SMN1; SMN2ALDH1A1RAB9AKMT2AHDAC3
SCHEMBL30465004 0.71 CTSK (0.46) SMN1; SMN2ALDH1A1RAB9AKMT2AHDAC3
SCHEMBL11910893 0.68 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAKDM4EKMT2A
SCHEMBL23884332 0.67 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL25189522 0.67 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL7294555 0.67 ERCC1 (0.57) ALDH1A1LMNAGAAKDM4EERCC1

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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-04 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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN HAVCR2, CUL4A, PSMC3 SMN1; SMN2 3617/4885ALDH1A1 1026/4885LMNA 3765/4885

“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.