SCHEMBL14788137

SCHEMBL14788137

CC[n+]1ccc2c(-c3nc4ccccc4s3)c(NC(C)=O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.47
▸ PKM P14618 1/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ APEX1 P27695 8/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ USP2 O75604 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL13833795 0.84 MAPT (0.55) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL13833651 0.82 POLB (0.53) KDM4EPKMAPOBEC3AAPOBEC3GMAPT
Trifluoromethanesulfonic Acid SCHEMBL14777194 0.75 UHRF1 (0.47) KDM4EPKMAPOBEC3AAPOBEC3GMAPT
SCHEMBL13833700 0.71 MAPT (0.55) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL14777503 0.69 POLB (0.55) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL13833712 0.69 LMNA (0.55) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL13833660 0.68 MAPT (0.66) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL13833836 0.68 POLB (0.53) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL13833847 0.67 ADORA1 (0.51) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL14788083 0.66 APEX1 (0.49) KDM4EMAPTPOLBTDP1L3MBTL1

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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 — — 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS HSPA5, PSMG3, VCP KDM4E 3155/4885PKM 1635/4885APOBEC3A 3511/4885

“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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