SCHEMBL419203

SCHEMBL419203

COc1ccccc1C(=O)Nc1nccs1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.76
ALOX15 P16050 1/20 0.76
RAB9A P51151 7/20 0.73
NPC1 O15118 6/20 0.73
KCNMA1 Q12791 1/20 0.69
MAPT P10636 2/20 0.66
POLB P06746 1/20 0.66
CYP1A2 P05177 1/20 0.66
ALDH1A1 P00352 3/20 0.64
GAA P10253 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 2/20 0.64
PKM P14618 1/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
KDM4E B2RXH2 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
HSD17B10 Q99714 1/20 0.62
TP53 P04637 1/20 0.60

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
Bromide SCHEMBL27908055 0.99 MAPK1 (0.74) MAPK1ALOX15RAB9ANPC1KCNMA1
SCHEMBL4286353 0.91 ADORA2A (0.73) MAPK1ALOX15RAB9ANPC1KCNMA1
SCHEMBL2380796 0.87 MAPK1 (0.60) MAPK1ALOX15RAB9ANPC1KCNMA1
SCHEMBL714175 0.86 MAPK1 (0.73) MAPK1ALOX15RAB9ANPC1MAPT
SCHEMBL16363830 0.86 MAPK1 (1.00) MAPK1ALOX15RAB9ANPC1MAPT
SCHEMBL24934051 0.85 RAB9A (0.72) MAPK1ALOX15RAB9ANPC1KCNMA1
SCHEMBL16078340 0.84 RAB9A (0.64) MAPK1ALOX15RAB9ANPC1KCNMA1
SCHEMBL17274993 0.84 MAPK1 (0.81) MAPK1ALOX15RAB9ANPC1CYP1A2
SCHEMBL12443375 0.84 RAB9A (1.00) MAPK1ALOX15RAB9ANPC1KCNMA1
SCHEMBL703469 0.84 ALOX15 (0.70) MAPK1ALOX15RAB9ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB MAPK1 1515/4885ALOX15 2365/4885RAB9A 3958/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB MAPK1 1515/4885ALOX15 2365/4885RAB9A 3958/4885

“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.