SCHEMBL14546086

SCHEMBL14546086

COC(=O)CCCn1c([N+](=O)[O-])cnc1C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ THRB P10828 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ GLA P06280 1/20 0.60
▸ CA1 P00915 5/20 0.53
▸ CA2 P00918 5/20 0.53
▸ CA9 Q16790 5/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CA12 O43570 4/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ATM Q13315 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ EGFR P00533 3/20 0.49
▸ ERBB2 P04626 3/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL29287384 0.92 LMNA (0.65) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL18366018 0.88 GLA (0.62) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL12396321 0.86 LMNA (0.58) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL28927348 0.83 LMNA (0.76) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL27519116 0.80 LMNA (0.68) LMNAALDH1A1MAPK1THRBTSHR
Ternidazole SCHEMBL2108944 0.80 LMNA (0.82) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL27589945 0.80 GLA (0.68) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL16063143 0.80 GLA (0.68) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL10286978 0.79 GLA (0.67) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL14047247 0.79 GLA (0.67) LMNAALDH1A1MAPK1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294973-A1 PHARMACEUTICAL COMPOSITIONS OF HYDROPHOBIC CAMPTOTHECIN DERIVATIVES TAIWAN LIPOSOME COMPANY, LTD. (TW) 2014-10-02 — — US disclosed
US-8779138-B2 Camptothecin derivatives as chemoradiosensitizing agents Sutter West Bay Hospital (US) 2014-07-15 — — US disclosed
US-8563537-B2 Camptothecin derivatives as chemoradiosensitizing agents Sutter West Bay Hospital (US) 2013-10-22 — — US disclosed
EP-1951231-B1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS CALIFORNIA PACIFIC MED CENTER (US) 2013-07-31 — — EP disclosed
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents CALIFORNIA PACIFIC MEDICAL CENTER 2007-04-26 — — 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-20140294973-A1 PHARMACEUTICAL COMPOSITIONS OF HYDROPHOBIC CAMPTOTHECIN DERIVATIVES PTEN, LIPA, PHOSPHO1 LMNA 1027/4885ALDH1A1 2697/4885MAPK1 2610/4885
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents ERCC2, CHEK1, ERCC4 LMNA 2280/4885ALDH1A1 2656/4885MAPK1 2745/4885

“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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