SCHEMBL16615800

SCHEMBL16615800

CCCN(CCC)C(=O)c1ccc(NC(=O)Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.66
▸ RAB9A P51151 3/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ HDAC3 O15379 1/20 0.60
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ HDAC8 Q9BY41 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ EPHX2 P34913 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.57
▸ BCHE P06276 2/20 0.57
▸ ACHE P22303 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MAPT P10636 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ LIMK1 P53667 1/20 0.53
▸ PRMT1 Q99873 1/20 0.52
▸ GAA P10253 1/20 0.52

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
SCHEMBL18275037 0.85 RORC (0.77) RORC
SCHEMBL16615792 0.82 HDAC1 (0.63) RAB9ANPC1HDAC3HDAC1HDAC2
SCHEMBL18275246 0.81 RORC (0.65) RORCLIMK1
SCHEMBL18275350 0.80 LIMK1 (0.60) RORCALDH1A1LIMK1
SCHEMBL18275046 0.79 RORC (0.77) RORC
SCHEMBL16125603 0.79 RORC (0.67) RORCRAB9ANPC1EPHX2ALDH1A1
SCHEMBL10201372 0.78 RAB9A (0.72) RAB9ANPC1HDAC3HDAC1HDAC2
SCHEMBL7097847 0.78 EPHX2 (0.76) RAB9ANPC1HDAC3HDAC1HDAC2
SCHEMBL16615796 0.77 GFER (0.56) RAB9AHDAC1HDAC6ALDH1A1MEN1
SCHEMBL1003735 0.77 TP53 (0.68) HDAC1HDAC6ALDH1A1HPGDMAPT

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 RORC 4222/4885RAB9A 2704/4885NPC1 2316/4885

“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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