SCHEMBL8403223

SCHEMBL8403223

COCC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(CN2CCCN(C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.49
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 5/20 0.43
ABCG2 Q9UNQ0 2/20 0.42

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
SCHEMBL764011 0.88 KIF11 (0.46) KIF11MAPTMEN1KMT2ATP53
SCHEMBL8403133 0.85 KIF11 (0.48) KIF11MAPTMEN1KMT2ATP53
SCHEMBL763430 0.83 TP53 (0.61) KIF11MAPTTP53SMN1; SMN2LMNA
SCHEMBL764680 0.83 KIF11 (0.63) KIF11MAPTTP53LMNAABCG2
SCHEMBL763590 0.81 KIF11 (0.55) KIF11MAPTTP53SMN1; SMN2LMNA
SCHEMBL763736 0.80 KIF11 (0.57) KIF11MAPTTP53SMN1; SMN2LMNA
SCHEMBL8402912 0.79 KIF11 (0.63) KIF11MAPTTP53SMN1; SMN2LMNA
SCHEMBL765137 0.78 ABCG2 (0.56) KIF11MAPTTP53SMN1; SMN2LMNA
SCHEMBL8402978 0.77 KIF11 (0.55) KIF11MAPTTP53SMN1; SMN2LMNA
SCHEMBL13336356 0.76 KIF11 (0.53) KIF11MAPTMEN1KMT2ATP53

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-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2012-05-24 US disclosed
US-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2012-05-24 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-20120129841-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES VEGFA, FLT4, FLT1 KIF11 2890/4885MAPT 4190/4885MEN1 2762/4885

“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.