SCHEMBL13360644

SCHEMBL13360644

C=C(/C=C/CN1CCCCC1)c1ccc(Nc2ncc(C(=O)N(C)c3ccc(Cl)cc3)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 1/20 0.41
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PRNP P04156 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
GRM5 P41594 5/20 0.36
EGFR P00533 3/20 0.36
ERBB2 P04626 1/20 0.35
JAK3 P52333 1/20 0.35
ERBB4 Q15303 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL10188138 0.92 RAB9A (0.42) RAB9ANPC1MAPTCHRM1HTR2A
SCHEMBL10188133 0.78 NPC1 (0.37) RAB9ANPC1MAPK13MAPK12MAPK11
SCHEMBL508843 0.78 MAPK13 (0.40) RAB9ANPC1MAPTMCHR1MAPK13
SCHEMBL508844 0.78 MAPK13 (0.40) RAB9ANPC1MAPTMCHR1MAPK13
SCHEMBL13360642 0.70 NPC1 (0.38) RAB9ANPC1MAPTMAPK13MAPK12
SCHEMBL508873 0.69 MAPK14 (0.46) RAB9ANPC1MAPTMAPK13MAPK12
SCHEMBL508872 0.69 MAPK14 (0.46) RAB9ANPC1MAPTMAPK13MAPK12
SCHEMBL10188135 0.68 MAPK14 (0.62) MAPK13MAPK12MAPK11MAPK14EGFR
SCHEMBL10188128 0.66 MAPK14 (0.41) RAB9ANPC1MAPTMAPK13MAPK12
SCHEMBL509131 0.66 MAPK13 (0.35) RAB9ANPC1CHRM1MCHR1MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 RAB9A 2042/4885NPC1 2962/4885MAPT 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.