SCHEMBL4513208

SCHEMBL4513208

CCc1c(N)ccc(Br)c1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
S100B P04271 1/20 0.34
CYP3A4 P08684 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SKP2 Q13309 1/20 0.33
PIK3CA P42336 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ESR1 P03372 1/20 0.31
AR P10275 1/20 0.31
ESR2 Q92731 1/20 0.31
AXL P30530 1/20 0.31
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14994586 0.83 CYP3A4 (0.37) NOS3NOS2S100BCYP3A4TSHR
SCHEMBL8467859 0.82 NOS3 (0.33) NOS3NOS2S100BCYP3A4TSHR
SCHEMBL11342257 0.82 SKP2 (0.50) NOS2S100BCYP3A4TSHRALDH1A1
SCHEMBL9847085 0.81 CYP3A4 (0.43) NOS3NOS2S100BCYP3A4TSHR
SCHEMBL12945242 0.81 CYP3A4 (0.32) CYP3A4TSHRALDH1A1TDP1PIK3CA
SCHEMBL11347187 0.80 SKP2 (0.44) CYP3A4ALDH1A1SKP2ESR1TP53
SCHEMBL2954428 0.77 NOS2 (0.42) NOS3NOS2S100BCYP3A4TSHR
SCHEMBL26339879 0.77 NOS3 (0.38) NOS3NOS2ALDH1A1
SCHEMBL3672155 0.76 NOS3 (0.32) NOS3NOS2S100BCYP3A4TSHR
SCHEMBL3222203 0.76 ALDH1A1 (0.39) NOS3NOS2S100BCYP3A4TSHR

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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB NOS3 3104/4885NOS2 3802/4885S100B 4485/4885

“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.