SCHEMBL13833744

SCHEMBL13833744

CC(=O)Nc1cc2c(c(-c3nc4ccccc4s3)c1)CCNC2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 8/20 0.61
KDM4E B2RXH2 3/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
UHRF1 Q96T88 2/20 0.49
TP53 P04637 1/20 0.45
AGPAT2 O15120 1/20 0.45
MYC P01106 1/20 0.44

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
SCHEMBL13833775 0.81 APEX1 (0.67) APEX1KDM4EMAPTUHRF1TP53
SCHEMBL13833774 0.81 APEX1 (0.56) APEX1KDM4ERAB9AMEN1MAPT
SCHEMBL13833708 0.81 APEX1 (0.56) APEX1KDM4ERAB9AMEN1MAPT
SCHEMBL14788110 0.80 KDM4E (0.56) APEX1KDM4ERAB9AMEN1MAPT
SCHEMBL13833746 0.77 KDM4E (0.52) APEX1KDM4ERAB9AMEN1MAPT
Trifluoroacetic Acid SCHEMBL14778261 0.76 UHRF1 (0.64) APEX1KDM4EMAPTUHRF1TP53
Trifluoroacetic Acid SCHEMBL14777440 0.76 UHRF1 (0.57) APEX1KDM4ERAB9AMEN1MAPT
Trifluoroacetic Acid SCHEMBL14777281 0.76 UHRF1 (0.57) APEX1KDM4ERAB9AMEN1MAPT
SCHEMBL13735036 0.76 APEX1 (1.00) APEX1KDM4ERAB9AMEN1KMT2A
SCHEMBL2246115 0.74 MAPT (1.00) KDM4ERAB9AMEN1MAPTKMT2A

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
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 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 (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 APEX1 2669/4885KDM4E 3155/4885RAB9A 858/4885

“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.