SCHEMBL19698575

SCHEMBL19698575

C=C1CCC(=O)N1OC(=O)CCCC(=O)N1CCC(C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.39
▸ GLA P06280 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ EPHX1 P07099 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ GNAI3 P08754 2/20 0.32
▸ GNAO1 P09471 2/20 0.32
▸ GNAI1 P63096 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ ATM Q13315 1/20 0.31

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
SCHEMBL19698112 0.92 NPC1 (0.43) NPC1GLARAB9AEPHX1EPHX2
SCHEMBL19698164 0.85 CYP2D6 (0.37) NPC1RAB9AEPHX1EPHX2CYP2D6
SCHEMBL15308992 0.79 KMT2A (0.33) KMT2A
SCHEMBL19703914 0.79 NPC1 (0.40) NPC1GLARAB9AEPHX1EPHX2
SCHEMBL19703694 0.78 NPC1 (0.62) NPC1GLARAB9AEPHX1EPHX2
SCHEMBL19698159 0.78 CYP2D6 (0.38) NPC1RAB9AEPHX2CYP2D6KCNH2
SCHEMBL17740037 0.76 NPC1 (0.43) NPC1GLARAB9AEPHX1EPHX2
SCHEMBL20034713 0.75 NPC1 (0.43) NPC1GLARAB9AEPHX1EPHX2
SCHEMBL19432859 0.75 KMT2A (0.32) KMT2A
SCHEMBL17175671 0.74 KMT2A (0.33) KMT2A

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 NPC1 2704/4885GLA 3734/4885RAB9A 1768/4885

“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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