SCHEMBL359986

SCHEMBL359986

CC(=O)/C(=N\Nc1cccc(Br)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.53
MAPT P10636 8/20 0.53
RAB9A P51151 8/20 0.53
NPC1 O15118 7/20 0.53
MAPK1 P28482 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
TGM2 P21980 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL359987 1.00 SMN1; SMN2 (0.53) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL23539268 0.86 GAA (0.47) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL16115787 0.86 GAA (0.47) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL16115788 0.86 GAA (0.47) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL7490755 0.83 MAPT (0.54) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL7490754 0.83 MAPT (0.54) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL14916610 0.82 GAA (0.43) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL26619017 0.82 NPC1 (0.56) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL14916611 0.80 RAB9A (0.44) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL21069367 0.79 GAA (0.44) SMN1; SMN2MAPTRAB9ANPC1L3MBTL1

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
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET SMN1; SMN2 4292/4885MAPT 2891/4885RAB9A 2325/4885

“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.