SCHEMBL508061

SCHEMBL508061

O=C(Nc1ccc(Cl)cc1)c1cnc(Nc2ccc(C=CS(=O)(=O)c3ccccc3)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK14 Q16539 8/20 0.49
MAPK13 O15264 7/20 0.49
MAPK12 P53778 7/20 0.49
MAPK11 Q15759 7/20 0.49
LCK P06239 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCL1 Q07820 1/20 0.41
PPARG P37231 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 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
SCHEMBL508060 1.00 MAPT (0.51) MAPTNPC1RAB9AMAPK14MAPK13
SCHEMBL10188921 0.88 MAPT (0.59) MAPTNPC1RAB9AMAPK14MAPK13
SCHEMBL10188924 0.79 NPC1 (0.39) NPC1RAB9AMAPK14MAPK13MAPK12
SCHEMBL508762 0.77 MAPK13 (0.45) MAPTNPC1RAB9AMAPK14MAPK13
SCHEMBL508761 0.77 MAPK13 (0.45) MAPTNPC1RAB9AMAPK14MAPK13
SCHEMBL509502 0.76 NPC1 (0.57) MAPTNPC1RAB9AMAPK14MAPK13
SCHEMBL1195311 0.72 NFE2L2 (0.57) PPARG
SCHEMBL1195313 0.72 NFE2L2 (0.57) PPARG
SCHEMBL3629901 0.71 RAB9A (0.68) MAPTNPC1RAB9AMAPK14MAPK13
SCHEMBL10151619 0.69 SMO (0.37) NPC1RAB9AKMT2AMEN1HPGD

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-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
WO-2010054107-A2 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2010-05-14 WO disclosed
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2010-05-06 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 (2 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-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors MAP3K20, MAP3K6, MAP3K19 MAPT 3446/4885NPC1 2962/4885RAB9A 2042/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 MAPT 3446/4885NPC1 2962/4885RAB9A 2042/4885

“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.