SCHEMBL14916611

SCHEMBL14916611

CC(=O)C(=NNc1cccc(Br)c1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 4/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
TGM2 P21980 1/20 0.38

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
SCHEMBL10283806 1.00 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL359987 0.80 SMN1; SMN2 (0.53) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL359986 0.80 SMN1; SMN2 (0.53) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL15047031 0.78 MAPT (0.43) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL23554176 0.76 SMN1; SMN2 (0.51) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL30041694 0.76 SMN1; SMN2 (0.51) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL1400198 0.73 GAA (0.55) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL29895464 0.73 GAA (0.55) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL23539268 0.73 GAA (0.47) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL16115788 0.73 GAA (0.47) RAB9ANPC1MAPTSMN1; SMN2MAPK1

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-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET RAB9A 2325/4885NPC1 3573/4885MAPT 2891/4885

“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.