SCHEMBL509502

SCHEMBL509502

O=C(Nc1ccc(Cl)cc1)c1cnc(Nc2ccc(C3OC3c3ccccc3)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MAPT P10636 2/20 0.57
MAPK14 Q16539 8/20 0.55
MAPK13 O15264 7/20 0.55
MAPK12 P53778 7/20 0.55
MAPK11 Q15759 7/20 0.55
LCK P06239 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
CNR1 P21554 1/20 0.45
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL10188921 0.82 MAPT (0.59) NPC1RAB9AMAPTMAPK14MAPK13
SCHEMBL508061 0.76 MAPT (0.51) NPC1RAB9AMAPTMAPK14MAPK13
SCHEMBL508060 0.76 MAPT (0.51) NPC1RAB9AMAPTMAPK14MAPK13
SCHEMBL3629901 0.76 RAB9A (0.68) NPC1RAB9AMAPTMAPK14MAPK13
SCHEMBL13363657 0.74 MAPK13 (0.49) NPC1RAB9AMAPTMAPK14MAPK13
SCHEMBL508789 0.74 MAPK13 (0.49) NPC1RAB9AMAPTMAPK14MAPK13
SCHEMBL12789187 0.73 PTPN1 (0.70) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL11925387 0.71 PTPN1 (0.59) NPC1RAB9AMAPTMAPK14KMT2A
SCHEMBL5633659 0.71 MAPK13 (1.00) NPC1RAB9AMAPTMAPK14MAPK13
SCHEMBL26604158 0.70 PTPN1 (0.58) NPC1RAB9AMAPTMAPK14MAPK13

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 8 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
US-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
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
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
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2010-05-06 US 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 NPC1 2962/4885RAB9A 2042/4885MAPT 3446/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 NPC1 2962/4885RAB9A 2042/4885MAPT 3446/4885

“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.