SCHEMBL874084

SCHEMBL874084

O=C1CCC(=O)N1O.O=C1c2ccccc2C(=O)N1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEH1 O60930 1/20 0.55
▸ ERCC1 P07992 2/20 0.50
▸ FEN1 P39748 2/20 0.50
▸ ERCC4 Q92889 2/20 0.50
▸ POLB P06746 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ MAPK3 P27361 1/20 0.39
▸ MAP3K8 P41279 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL710689 0.86 ERCC1 (0.62) RNASEH1ERCC1FEN1ERCC4POLB
SCHEMBL1410 0.86 ERCC1 (0.62) RNASEH1ERCC1FEN1ERCC4POLB
SCHEMBL29361703 0.86 ERCC1 (0.62) RNASEH1ERCC1FEN1ERCC4POLB
Water SCHEMBL4444794 0.84 ERCC1 (0.60) RNASEH1ERCC1FEN1ERCC4POLB
SCHEMBL2824836 0.84 ERCC1 (0.60) RNASEH1ERCC1FEN1ERCC4POLB
Lithium SCHEMBL1279496 0.84 ERCC1 (0.60) RNASEH1ERCC1FEN1ERCC4POLB
SCHEMBL1279494 0.84 ERCC1 (0.60) RNASEH1ERCC1FEN1ERCC4POLB
SCHEMBL28423361 0.84 ERCC1 (0.60) RNASEH1ERCC1FEN1ERCC4POLB
SCHEMBL2824834 0.84 ERCC1 (0.60) RNASEH1ERCC1FEN1ERCC4POLB
Ammonia Solution, Strong SCHEMBL8656352 0.84 ERCC1 (0.60) RNASEH1ERCC1FEN1ERCC4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111286041-A Demethylated lignin, preparation method thereof and application thereof in phenolic resin adhesive 南京工业大学 2020-06-16 — — CN disclosed
US-9765154-B2 Phosphohistidine analogs THE ROCKEFELLER UNIVERSITY (US) 2017-09-19 — — US disclosed
US-20150344589-A1 PHOSPHOHISTIDINE ANALOGS THE ROCKEFELLER UNIVERSITY (US) 2015-12-03 — — US disclosed
US-9035068-B2 Phosphohistidine analogs THE ROCKEFELLER UNIVERSITY (US) 2015-05-19 — — US disclosed
US-20130260398-A1 PHOSPHOHISTIDINE ANALOGS THE ROCKEFELLER UNIVERSITY (US) 2013-10-03 — — US disclosed
WO-2012040523-A2 PHOSPHOHISTIDINE ANALOGS THE ROCKEFELLER UNIVERSITY (US) 2012-03-29 — — WO disclosed
WO-2008033475-A2 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC. (US) 2008-03-20 — — WO disclosed
EP-0393934-B1 Novel peptides, and antidementia agents containing the same NIPPON CHEMIPHAR CO (JP) 1994-11-02 — — EP 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-20130260398-A1 PHOSPHOHISTIDINE ANALOGS PHPT1, PTMS, CHAMP1 RNASEH1 4222/4885ERCC1 4158/4885FEN1 2060/4885
US-20150344589-A1 PHOSPHOHISTIDINE ANALOGS PHPT1, PTMS, CHAMP1 RNASEH1 4111/4885ERCC1 4216/4885FEN1 2378/4885

“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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