SCHEMBL21612838

SCHEMBL21612838

COC(=O)c1cc(OC2CCN(C(=O)O)CC2)c(OCSC)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ F2 P00734 2/20 0.33
▸ F10 P00742 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL23355345 0.89 MAPT (0.44) SIRT6MAPTALDH1A1KDM4ELMNA
SCHEMBL23355304 0.89 SIRT6 (0.41) SIRT6MAPTALDH1A1KDM4ELMNA
SCHEMBL23355348 0.88 PDE4B (0.43) SIRT6MAPTALDH1A1LMNA
SCHEMBL30203345 0.88 PDE4B (0.43) SIRT6MAPTALDH1A1LMNA
SCHEMBL23355428 0.85 CTSV (0.42) SIRT6MAPTALDH1A1KDM4ELMNA
SCHEMBL23355326 0.83 SIRT6 (0.42) SIRT6MAPTALDH1A1KDM4ELMNA
SCHEMBL21616255 0.82 PDE5A (0.37) SIRT6MAPTALDH1A1LMNAPDE5A
SCHEMBL21612833 0.78 PDE4D (0.47) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL26113891 0.77 SIRT6 (0.39) SIRT6MAPTALDH1A1KDM4ELMNA
SCHEMBL21612772 0.77 PDE4B (0.44) SIRT6MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 — — US disclosed
EP-3822263-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-05-19 — — EP disclosed
WO-2020009156-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE 第一三共株式会社 2020-01-09 — — WO 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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES ERBB2, EGFR, ERBB3 SIRT6 3508/4885MAPT 4074/4885ALDH1A1 2836/4885

“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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