SCHEMBL3083631

SCHEMBL3083631

CCn1nc(C)cc1-c1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
LMNA P02545 5/20 0.58
RXFP1 Q9HBX9 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.53
CDC25A P30304 3/20 0.52
CDC25B P30305 3/20 0.52
TP53 P04637 2/20 0.52
THRB P10828 1/20 0.52
NPSR1 Q6W5P4 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
ALPG P10696 1/20 0.49

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
SCHEMBL3071327 0.93 LMNA (0.60) MAPTLMNARXFP1SMN1; SMN2POLB
SCHEMBL3074301 0.89 TP53 (0.53) MAPTLMNARXFP1SMN1; SMN2POLB
SCHEMBL7746877 0.89 MAPT (0.50) MAPTLMNARXFP1SMN1; SMN2POLB
SCHEMBL13856857 0.85 TP53 (0.61) MAPTRXFP1POLBTP53NPSR1
SCHEMBL12325796 0.83 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2POLBNPSR1
SCHEMBL6489608 0.81 SMN1; SMN2 (0.51) LMNASMN1; SMN2NPSR1ALDH1A1HTT
Water SCHEMBL1905418 0.81 SMN1; SMN2 (0.50) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
Water SCHEMBL1905420 0.81 SMN1; SMN2 (0.50) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL3072473 0.80 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL6192068 0.77 MAPT (0.91) MAPTLMNARXFP1SMN1; SMN2POLB

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 10 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
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-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
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 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 (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 MAPT 1326/4885LMNA 2371/4885RXFP1 1496/4885
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB MAPT 4415/4885LMNA 3323/4885RXFP1 1535/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C MAPT 1289/4885LMNA 1882/4885RXFP1 1676/4885
US-20110230523-A1 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF JUN, CREBBP, TFEB MAPT 4415/4885LMNA 3323/4885RXFP1 1535/4885

“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.