SCHEMBL16615807

SCHEMBL16615807

CCCN(CCC)C(=O)c1ccc(NC(=O)c2cccs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.63
▸ RAB9A P51151 7/20 0.63
▸ SMN1; SMN2 Q16637 6/20 0.63
▸ MAPT P10636 5/20 0.63
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ HTT P42858 4/20 0.59
▸ LMNA P02545 3/20 0.59
▸ POLB P06746 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ GAA P10253 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HPGD P15428 2/20 0.55
▸ GFER P55789 1/20 0.55
▸ TP53 P04637 2/20 0.54

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
SCHEMBL6892124 0.83 KMT2A (0.50) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL16615792 0.80 HDAC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2047778 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL8770282 0.77 MEN1 (0.85) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL308069 0.76 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11729204 0.76 MEN1 (0.80) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL16615796 0.75 GFER (0.56) RAB9AMEN1KMT2ATDP1GFER
SCHEMBL12495837 0.74 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22804218 0.74 NPC1 (0.83) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL8771200 0.74 NPC1 (0.89) NPC1RAB9ASMN1; SMN2MAPTMEN1

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-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF Université de Montréal (CA) 2016-07-28 — — US disclosed
US-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF Université de Montréal (CA) 2016-07-28 — — US disclosed
WO-2015042685-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF VALORISATION-RECHERCHE (CA) 2015-04-02 — — 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-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF FBL, HNRNPA1, HNRNPUL1 NPC1 2316/4885RAB9A 2704/4885SMN1; SMN2 81/4885

“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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