SCHEMBL17815671

SCHEMBL17815671

Cc1cc(C(=O)N2CCCC2)c(C)n1C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
HPGD P15428 8/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
HSP90AA1 P07900 2/20 0.44
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL13739326 0.75 SMN1; SMN2 (0.60) HPGDMEN1KMT2AALDH1A1NPSR1
SCHEMBL13753571 0.74 HPGD (0.49) GAAHPGDMEN1KMT2AALDH1A1
SCHEMBL13740440 0.73 SMN1; SMN2 (0.63) HPGDMEN1KMT2AALDH1A1NPSR1
SCHEMBL1041466 0.72 NOTUM (0.53) MEN1KMT2AALDH1A1
SCHEMBL10371971 0.72 MAPT (0.42) GAAHPGDMEN1KMT2AALDH1A1
SCHEMBL2930813 0.71 L3MBTL1 (0.44) GAAHPGDMEN1KMT2AALDH1A1
SCHEMBL24163381 0.69 L3MBTL3 (0.57) GAAHPGDMEN1KMT2AALDH1A1
SCHEMBL12926042 0.69 NR2E1 (0.59) GAAHPGDALDH1A1POLBTSHR
SCHEMBL15229957 0.68 GAA (0.50) GAAHPGDMEN1KMT2AALDH1A1
SCHEMBL13687490 0.68 L3MBTL1 (0.39) GAAMEN1KMT2AALDH1A1NPSR1

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-20170369474-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2017-12-28 US disclosed
US-20170369474-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2017-12-28 US disclosed
WO-2016090313-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2016-06-09 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-20170369474-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 GAA 322/4885HPGD 3099/4885MEN1 2502/4885

“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.