SCHEMBL1900261

SCHEMBL1900261

Cn1c(SCC(=O)C(C)(C)C)nnc1-c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.43
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40
HTR1E P28566 1/20 0.40
S1PR3 Q99500 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7744777 0.93 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1NPSR1TSHR
SCHEMBL1901778 0.88 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1NPSR1TSHR
SCHEMBL1902320 0.87 ALDH1A1 (0.55) ALDH1A1MAPTTSHRGAARAB9A
SCHEMBL1902152 0.87 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1NPSR1TSHR
SCHEMBL3077227 0.84 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1NPSR1GAA
SCHEMBL1897557 0.83 RAB9A (0.52) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL3058653 0.83 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1NPSR1GAA
SCHEMBL7739182 0.81 ALDH1A1 (0.48) ALDH1A1MAPTTSHRGAARAB9A
SCHEMBL3077801 0.78 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1NPSR1GAA
SCHEMBL4490129 0.68 GRN (0.78) ALDH1A1MAPTMAPK1NPSR1GAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US claimed
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US 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 (4 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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B ALDH1A1 1123/4885MAPT 1326/4885MAPK1 803/4885
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ALDH1A1 3948/4885MAPT 4415/4885MAPK1 3243/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C ALDH1A1 1193/4885MAPT 1289/4885MAPK1 1070/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB ALDH1A1 3948/4885MAPT 4415/4885MAPK1 3243/4885

“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.