SCHEMBL13833746

SCHEMBL13833746

CC(=O)Nc1cc2c(c(-c3nc4ccccc4s3)c1)CCN(C(=O)C(F)(F)F)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
UHRF1 Q96T88 4/20 0.51
APEX1 P27695 6/20 0.47
NPC1 O15118 3/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.45
USP2 O75604 2/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 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
SCHEMBL14788110 0.90 KDM4E (0.56) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL13833761 0.84 KDM4E (0.44) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL13833860 0.83 KDM4E (0.48) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL13833745 0.81 MMP13 (0.42) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL13833744 0.77 APEX1 (0.61) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL14788072 0.76 MAPT (0.53) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL14788101 0.73 MAPT (0.48) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL14788074 0.72 KDM4E (0.53) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL3524858 0.70 PDK2 (0.42) RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL13833687 0.70 KDM4E (0.47) KDM4ERAB9AMEN1KMT2AMAPT

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 3 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
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 KDM4E 3155/4885RAB9A 858/4885MEN1 4255/4885

“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.