SCHEMBL13675586

SCHEMBL13675586

COc1cccc(-c2nc(Nc3ccccc3C(F)(F)F)c(C)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
P2RY1 P47900 1/20 0.44
EGFR P00533 1/20 0.43
SYK P43405 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
CRHR1 P34998 1/20 0.39
MAPK3 P27361 1/20 0.39
DGAT2 Q96PD7 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
SCHEMBL3825251 0.85 RXFP1 (0.46) MAPTRAB9ANFKB1NFKB2RELA
SCHEMBL13674671 0.85 SMN1; SMN2 (0.47) MAPTRAB9ANFKB1NFKB2RELA
SCHEMBL3831608 0.85 IKBKB (0.50) MAPTRAB9ANFKB1NFKB2RELA
SCHEMBL3843773 0.85 RAB9A (0.45) MAPTRAB9ANFKB1NFKB2RELA
SCHEMBL13675833 0.84 MAPT (0.42) MAPTRAB9ANFKB1NFKB2RELA
SCHEMBL3842362 0.73 GAA (0.47) MAPTRAB9ASMN1; SMN2MEN1GAA
SCHEMBL22864101 0.72 MAPK14 (0.56) MAPTMEN1GAAKMT2ACRHR1
SCHEMBL4557806 0.71 MEN1 (0.48) MAPTRAB9ANFKB1NFKB2RELA
SCHEMBL4559238 0.66 BTK (0.50) MAPTRAB9ANFKB1NFKB2RELA
SCHEMBL3506911 0.65 ALDH1A1 (0.59) MAPTRAB9ANFKB1NFKB2RELA

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-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 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-20090270456-A1 Novel chemical compounds HIPK3, HIPK2, HIPK1 MAPT 1801/4885RAB9A 2187/4885NFKB1 2309/4885

“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.