SCHEMBL25637685

SCHEMBL25637685

COc1cc2c(cc1[N+](=O)[O-])-c1cnn(C)c1CN(C)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.42
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ POLB P06746 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPK1 P28482 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
SCHEMBL25637721 0.83 SIRT6 (0.39) SIRT6RAB9ANPC1PKMTDP1
SCHEMBL25637771 0.83 SIRT6 (0.39) SIRT6RAB9ANPC1PKMTDP1
SCHEMBL25637720 0.83 SIRT6 (0.39) SIRT6RAB9ANPC1PKMTDP1
SCHEMBL25637679 0.81 TDP1 (0.38) SIRT6RAB9ANPC1PKMTDP1
SCHEMBL25056360 0.79 MAOA (0.37) POLBMAOAMAOBSLC6A4
SCHEMBL14993936 0.78 SIRT6 (0.55) SIRT6RAB9ANPC1TDP1ALDH1A1
SCHEMBL25637647 0.76 SIRT6 (0.39) SIRT6RAB9ANPC1PKMTDP1
SCHEMBL25637727 0.75 CYP1A2 (0.38) SIRT6RAB9APKMTDP1ALDH1A1
SCHEMBL25637658 0.75 PKM (0.38) SIRT6RAB9ANPC1PKMTDP1
SCHEMBL25637752 0.73 PKM (0.37) SIRT6PKMTDP1ALDH1A1LMNA

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 2 patents. 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
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 SIRT6 4278/4885RAB9A 1678/4885NPC1 622/4885

“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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