SCHEMBL4898649

SCHEMBL4898649

CC(=O)N1CCC(CNCCN(Cc2cncn2C)c2ccc(C#N)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.52
FNTB P49356 20/20 0.52
PGGT1B P53609 13/20 0.51

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
SCHEMBL4902188 0.91 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL454433 0.90 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL4892549 0.87 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL4898646 0.87 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL4897544 0.87 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL4893656 0.86 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL4892777 0.85 FNTA (0.64) FNTAFNTBPGGT1B
SCHEMBL4888391 0.79 FNTA (0.63) FNTAFNTBPGGT1B
SCHEMBL4897491 0.79 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL4902186 0.78 FNTA (0.49) FNTAFNTBPGGT1B

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-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria UNIVERSITY OF WASHINGTON (US) 2008-12-18 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-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria AKR1C3, NR1H3, HCCS FNTA 18/4885FNTB 38/4885PGGT1B 912/4885

“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.