SCHEMBL26843288

SCHEMBL26843288

CCC1(O)C(=O)CCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC4 O15439 2/20 0.78
▸ HTT P42858 2/20 0.78
▸ ABCC3 O15438 1/20 0.78
▸ ACHE P22303 1/20 0.78
▸ PTGS1 P23219 1/20 0.78
▸ ABCC2 Q92887 1/20 0.78
▸ TOP1 P11387 18/20 0.60
▸ ALDH1A1 P00352 3/20 0.59
▸ GLA P06280 3/20 0.59
▸ RECQL P46063 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ KDM4E B2RXH2 3/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ BLM P54132 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ TP53 P04637 2/20 0.53

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
SCHEMBL26843368 1.00 ABCC4 (0.78) ABCC4HTTABCC3ACHEPTGS1
Rubitecan SCHEMBL29383355 0.88 ABCC4 (1.00) ABCC4HTTABCC3ACHEPTGS1
Rubitecan SCHEMBL15539941 0.88 ABCC4 (1.00) ABCC4HTTABCC3ACHEPTGS1
Rubitecan SCHEMBL8640 0.88 ABCC4 (1.00) ABCC4HTTABCC3ACHEPTGS1
Rubitecan SCHEMBL6426025 0.88 ABCC4 (1.00) ABCC4HTTABCC3ACHEPTGS1
Rubitecan SCHEMBL1652417 0.88 ABCC4 (1.00) ABCC4HTTABCC3ACHEPTGS1
Rubitecan SCHEMBL29379605 0.88 ABCC4 (1.00) ABCC4HTTABCC3ACHEPTGS1
Rubitecan SCHEMBL28223445 0.88 ABCC4 (1.00) ABCC4HTTABCC3ACHEPTGS1
SCHEMBL25932527 0.86 ABCC4 (0.85) ABCC4HTTABCC3ACHEPTGS1
SCHEMBL26843370 0.86 TOP1 (0.77) ABCC4HTTABCC3ACHEPTGS1

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-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-12-05 — — 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-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 ABCC4 1731/4885HTT 3436/4885ABCC3 1798/4885

“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.

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