SCHEMBL13833847

SCHEMBL13833847

CC(=O)Nc1c(-c2nc3ccccc3s2)oc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ MAPT P10636 7/20 0.51
▸ KDM4E B2RXH2 7/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ POLB P06746 4/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ APEX1 P27695 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ THRB P10828 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 2/20 0.48

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 0.81 MAPT (0.55) ADORA1DYRK1AMAPTKDM4ERAB9A
SCHEMBL28072963 0.77 MAPT (0.52) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL13049765 0.74 MEN1 (0.43) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL13833660 0.73 MAPT (0.66) ADORA1DYRK1AMAPTKDM4ERAB9A
SCHEMBL9042466 0.70 KDM4E (0.81) ADORA1DYRK1AMAPTKDM4ERAB9A
SCHEMBL7105704 0.70 RAB9A (0.74) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL29636830 0.70 RAB9A (0.74) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL13833704 0.69 MAPT (0.60) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL3283083 0.69 DYRK1A (1.00) ADORA1DYRK1AMAPTRAB9ASMN1; SMN2
SCHEMBL10370972 0.68 TSHR (0.48) MAPTKDM4ERAB9ASMN1; SMN2NPC1

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 ADORA1 3540/4885DYRK1A 3987/4885MAPT 221/4885

“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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