SCHEMBL3570677

SCHEMBL3570677

NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(O)c(F)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.77
ABCB1 P08183 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56

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
SCHEMBL3564858 0.92 KIF11 (0.76) KIF11ABCB1ABCG2
SCHEMBL3571009 0.89 KIF11 (0.83) KIF11
SCHEMBL3575171 0.88 KIF11 (0.78) KIF11ABCG2
SCHEMBL3571887 0.87 KIF11 (1.00) KIF11
SCHEMBL3574607 0.87 KIF11 (0.86) KIF11
SCHEMBL3576798 0.87 KIF11 (0.82) KIF11
SCHEMBL12993669 0.86 KIF11 (0.73) KIF11
SCHEMBL3567366 0.85 KIF11 (0.74) KIF11ABCG2
SCHEMBL3579660 0.85 KIF11 (0.82) KIF11
SCHEMBL3574841 0.84 KIF11 (0.75) KIF11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855295-B2 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-21 US disclosed
US-7855295-B2 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-21 US disclosed
US-7855295-B2 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-21 US disclosed
US-20050215580-A1 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-09-29 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-20050215580-A1 Tetrahydrocarboline compounds as anticancer agents MTHFD1, BAD, DHFR KIF11 2735/4885ABCB1 70/4885ABCG2 314/4885

“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.