SCHEMBL4533975

SCHEMBL4533975

Cc1nc(Br)c(-c2ccc(F)cc2F)n1Cc1ccccc1.Cc1ncc(Br)n1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TNF P01375 1/20 0.38
MAPT P10636 3/20 0.37
HK1 P19367 1/20 0.37
HTT P42858 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
CYP11B2 P19099 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 1/20 0.35
GRM2 Q14416 1/20 0.35
DHFR P00374 2/20 0.35
PDE9A O76083 1/20 0.35
LMNA P02545 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL989287 0.91 TNF (0.45) ALDH1A1KDM4EGAATNFMAPT
SCHEMBL990110 0.77 CYP2C19 (0.42) ALDH1A1KDM4EGAATNFMAPT
SCHEMBL989290 0.76 CYP2C19 (0.52) ALDH1A1KDM4EGAATNFMAPT
SCHEMBL6209919 0.75 MAPT (0.47) ALDH1A1KDM4EGAATNFMAPT
SCHEMBL4833510 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTHK1
SCHEMBL4830285 0.73 MAPT (0.41) ALDH1A1KDM4EGAAMAPTHK1
SCHEMBL6209619 0.66 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPTHK1
SCHEMBL3522590 0.66 MAPK14 (0.56)
SCHEMBL4836206 0.66 MAPT (0.61) ALDH1A1KDM4ETNFMAPTHTT
SCHEMBL28026195 0.62 CYP2C19 (0.59) ALDH1A1KDM4EGAATNFNR2F2

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-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 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-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ALDH1A1 3145/4885KDM4E 778/4885GAA 2478/4885

“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.