SCHEMBL3074301

SCHEMBL3074301

CCn1nc(C)cc1-c1nnc(SCC(=O)c2ccccc2)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL3083631 0.89 MAPT (0.59) TP53SMN1; SMN2MEN1KMT2AHTT
SCHEMBL13856862 0.85 CYP1A2 (0.54) TP53SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3071327 0.83 LMNA (0.60) TP53SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL7746877 0.82 MAPT (0.50) TP53SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL15452694 0.80 LMNA (0.60) TP53SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL12325293 0.79 CYP1A2 (0.49) TP53SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3934899 0.77 LMNA (0.54) TP53SMN1; SMN2MEN1KMT2AHTT
SCHEMBL12325796 0.75 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL13856857 0.75 TP53 (0.61) TP53MEN1KMT2AHTTALDH1A1
SCHEMBL3072473 0.73 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AHTTLMNA

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 9 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-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 (3 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 TP53 4611/4885SMN1; SMN2 754/4885MEN1 1152/4885
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB TP53 2559/4885SMN1; SMN2 4868/4885MEN1 4225/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C TP53 4608/4885SMN1; SMN2 702/4885MEN1 1208/4885

“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.