SCHEMBL25637752

SCHEMBL25637752

COc1cc2c(cc1[N+](=O)[O-])-c1cnn(C)c1CCC2O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ POLL Q9UGP5 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL25056409 0.81 PLK1 (0.33) POLL
SCHEMBL25637788 0.81 DDB1 (0.39) PKMTDP1MEN1KMT2AMAPT
SCHEMBL25637720 0.79 SIRT6 (0.39) PKMTDP1MEN1KMT2ASIRT6
SCHEMBL25637727 0.78 CYP1A2 (0.38) PKMTDP1MEN1KMT2ASIRT6
SCHEMBL25637849 0.77 SIRT6 (0.38) PKMTDP1MEN1KMT2ASIRT6
SCHEMBL25637647 0.77 SIRT6 (0.39) PKMTDP1MEN1KMT2ASIRT6
SCHEMBL25637658 0.76 PKM (0.38) PKMTDP1MEN1KMT2ASIRT6
SCHEMBL25637686 0.76 SIRT6 (0.34) PKMTDP1MEN1KMT2ASIRT6
SCHEMBL25056359 0.75 PKM (0.38) PKMTDP1MEN1KMT2ASIRT6
SCHEMBL25637694 0.74 ALDH1A1 (0.38) PKMTDP1MEN1KMT2ASIRT6

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-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2023-06-22 — — 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-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 PKM 2484/4885TDP1 2926/4885MEN1 2200/4885

“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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