SCHEMBL25637761

SCHEMBL25637761

COc1cc2c(cc1[N+](=O)[O-])-c1cnn(C)c1CCN2C(=O)CN1CCC(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.36
▸ BRD4 O60885 11/20 0.35
▸ PLK1 P53350 11/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ RECQL P46063 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL25637760 0.86 PKM (0.38) SMN1; SMN2POLBPLK1KMT2AALDH1A1
SCHEMBL25637762 0.85 HTR2A (0.38) SMN1; SMN2POLBALDH1A1LMNAHTT
SCHEMBL25056359 0.83 PKM (0.38) SMN1; SMN2POLBPLK1KMT2AALDH1A1
SCHEMBL25637659 0.79 CHRM4 (0.35) SMN1; SMN2POLBALDH1A1LMNAHTT
SCHEMBL25637647 0.78 SIRT6 (0.39) SMN1; SMN2PLK1KMT2AALDH1A1LMNA
SCHEMBL25637686 0.78 SIRT6 (0.34) SMN1; SMN2POLBKMT2AALDH1A1LMNA
SCHEMBL25637849 0.78 SIRT6 (0.38) SMN1; SMN2POLBKMT2AALDH1A1LMNA
SCHEMBL25637694 0.77 ALDH1A1 (0.38) SMN1; SMN2PLK1KMT2AALDH1A1LMNA
SCHEMBL25056275 0.76 S1PR1 (0.35) POLBBRD4GAAKMT2AALDH1A1
SCHEMBL25640764 0.76 SIK2 (0.35) SMN1; SMN2KMT2AALDH1A1LMNAHTT

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 SMN1; SMN2 4816/4885POLB 540/4885BRD4 934/4885

“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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