SCHEMBL7022916

SCHEMBL7022916

O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1c2c2cc(F)ccc2n1[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 19/20 1.00
PRKCA P17252 2/20 0.51
EGFR P00533 1/20 0.50

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
SCHEMBL14498681 1.00 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL29489909 0.93 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL6727359 0.93 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL5664777 0.88 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL14498682 0.88 TOP1 (0.78) TOP1PRKCA
SCHEMBL14498680 0.88 TOP1 (0.78) TOP1PRKCA
SCHEMBL7029359 0.88 TOP1 (0.78) TOP1PRKCA
SCHEMBL5664034 0.87 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL5667987 0.85 TOP1 (1.00) TOP1PRKCA
SCHEMBL3969257 0.84 TOP1 (1.00) TOP1PRKCAEGFR

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-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-12-05 US disclosed
US-20030083271-A1 Topoisomerase I selective cytotoxic sugar derivatives of indolopyrrolocarbazoles BRISTOL-MYERS SQUIBB COMPANY 2003-05-01 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 (2 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-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 TOP1 531/4885PRKCA 2199/4885EGFR 100/4885
US-20030083271-A1 Topoisomerase I selective cytotoxic sugar derivatives of indolopyrrolocarbazoles TOP1, TOP2A, TOP2B TOP1 1/4885PRKCA 1381/4885EGFR 4433/4885

“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.