SCHEMBL4891129

SCHEMBL4891129

O=C1CCCCc2cc(Br)ccc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
MAPT P10636 1/20 0.53
CMA1 P23946 1/20 0.51
AHR P35869 1/20 0.51
BRD4 O60885 1/20 0.50
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
TDP2 O95551 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KIF11 P52732 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
KDR P35968 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43

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
SCHEMBL3627854 0.96 IDO1 (0.58) IDO1MAPTCMA1AHRBRD4
SCHEMBL30320568 0.96 IDO1 (0.58) IDO1MAPTCMA1AHRBRD4
SCHEMBL99208 0.89 MAOA (0.56) IDO1MAPTCMA1AHRBRD4
SCHEMBL2429992 0.82 CMA1 (0.66) IDO1MAPTCMA1AHRMAOA
SCHEMBL29638042 0.82 CMA1 (0.66) IDO1MAPTCMA1AHRMAOA
SCHEMBL27371363 0.80 CMA1 (0.46) IDO1MAPTCMA1AHRBRD4
SCHEMBL6431 0.79 AHR (0.72) IDO1CMA1AHRBRD4TDP2
SCHEMBL28979239 0.79 MAPT (0.53) IDO1MAPTAHRBRD4MAOA
SCHEMBL10274553 0.79 MAPT (0.53) IDO1MAPTMEN1KMT2AKIF11
SCHEMBL11713735 0.79 MAPT (0.53) IDO1MAPTAHRMAOAMAOB

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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 IDO1 4640/4885MAPT 2954/4885CMA1 2057/4885

“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.