SCHEMBL19703777

SCHEMBL19703777

CC1CCN(C(=O)CC(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL19703782 0.87 NPC1 (0.53) ALDH1A1NPC1MEN1KMT2AHPGD
SCHEMBL19703694 0.85 NPC1 (0.62) ALDH1A1NPC1MEN1KMT2AL3MBTL1
SCHEMBL19698159 0.85 CYP2D6 (0.38) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL2618714 0.75 MGLL (0.34) ALDH1A1KMT2AHPGDLMNAATM
SCHEMBL18538124 0.73 BRD4 (0.33) —
SCHEMBL19698164 0.72 CYP2D6 (0.37) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL13183261 0.72 BRD4 (0.39) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL6033533 0.72 MGAM (0.43) ALDH1A1KMT2AHPGDATMMAPT
SCHEMBL19704128 0.72 NPC1 (0.51) ALDH1A1NPC1MEN1KMT2AL3MBTL1
SCHEMBL20034713 0.70 NPC1 (0.43) ALDH1A1NPC1MEN1KMT2AL3MBTL1

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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 — — 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT ALDH1A1 3212/4885NPC1 2704/4885MEN1 1913/4885

“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.

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