SCHEMBL25637849

SCHEMBL25637849

COc1cc2c(cc1[N+](=O)[O-])-c1cnn(C)c1CCN2C1CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ PKM P14618 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ S1PR1 P21453 1/20 0.32

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
SCHEMBL25637772 0.95 SIRT6 (0.38) SIRT6ALDH1A1LMNAMAPTPKM
SCHEMBL25056275 0.94 S1PR1 (0.35) SIRT6ALDH1A1LMNAMAPTTP53
SCHEMBL25637682 0.92 SIRT6 (0.36) SIRT6ALDH1A1LMNAMAPTPKM
SCHEMBL25637876 0.90 SIRT6 (0.34) SIRT6ALDH1A1LMNAMAPTPKM
SCHEMBL25637830 0.89 TDP1 (0.36) SIRT6ALDH1A1LMNAPKMTDP1
SCHEMBL25637845 0.88 SMN1; SMN2 (0.32) SIRT6ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL25637842 0.88 KMT2A (0.33) SIRT6ALDH1A1LMNAPKMKMT2A
SCHEMBL25056290 0.87 GPR119 (0.38) ALDH1A1LMNAMAPTTP53KMT2A
SCHEMBL25637647 0.86 SIRT6 (0.39) SIRT6ALDH1A1LMNAMAPTPKM
SCHEMBL25056453 0.84 CCNT1 (0.34) ALDH1A1LMNAMAPTPKMTDP1

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 SIRT6 4278/4885ALDH1A1 3656/4885LMNA 2845/4885

“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.

Send feedback