SCHEMBL4101329

SCHEMBL4101329

CC(C)=CC(=O)Nc1cccc(Br)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
GRM5 P41594 2/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
NTRK1 P04629 1/20 0.42
LMNA P02545 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAP4K4 O95819 1/20 0.39

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
SCHEMBL1432533 0.81 KDM4E (0.61) RAB9ASMN1; SMN2GRM5MEN1KMT2A
SCHEMBL1812917 0.81 XIAP (0.56) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL9952792 0.80 CHRNB2 (0.52) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31357334 0.80 CHRNB2 (0.52) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28803215 0.79 GRM5 (0.48) RAB9ANPC1SMN1; SMN2GRM5MEN1
SCHEMBL1192307 0.75 GRM5 (0.57) RAB9ANPC1GRM5MEN1KMT2A
SCHEMBL25023335 0.75 RAB9A (0.53) RAB9ANPC1SMN1; SMN2GRM5MEN1
SCHEMBL27693604 0.75 GRM5 (0.53) RAB9ANPC1SMN1; SMN2GRM5MEN1
SCHEMBL5029586 0.74 GRM5 (0.51) RAB9AGRM5MEN1KMT2ACHRNB2
SCHEMBL5141429 0.74 GAA (0.52) RAB9ANPC1SMN1; SMN2TSHRGRM5

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-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 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-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 RAB9A 2278/4885NPC1 842/4885SMN1; SMN2 2577/4885

“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.