SCHEMBL28447548

SCHEMBL28447548

COC(=O)CC(Cc1cc(C)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.40
▸ GSTM2 P28161 1/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL29500860 0.92 GSTP1 (0.41) GSTP1GSTM2BCL2L3MBTL1ATM
SCHEMBL28448770 0.89 GSTP1 (0.40) GSTP1GSTM2ATMMAPTALDH1A1
SCHEMBL29500942 0.89 MEN1 (0.41) GSTP1GSTM2BCL2MAPTSMN1; SMN2
SCHEMBL29500855 0.89 BCL2 (0.40) GSTP1GSTM2BCL2L3MBTL1ATM
SCHEMBL29500837 0.89 AAK1 (0.42) GSTP1GSTM2ATMAAK1
SCHEMBL21061826 0.89 AAK1 (0.42) GSTP1GSTM2ATMAAK1
SCHEMBL29500872 0.87 MEN1 (0.41) GSTP1GSTM2MAPTSMN1; SMN2CYP3A4
SCHEMBL28448719 0.83 ATM (0.39) ATMMAPTSMN1; SMN2AAK1PPARG
SCHEMBL16970661 0.82 ATM (0.38) GSTP1GSTM2BCL2ATMMAPT
SCHEMBL29500892 0.80 SMN1; SMN2 (0.41) GSTP1GSTM2BCL2ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 — — CN disclosed
EP-3724192-B1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2022-08-03 — — EP disclosed
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists RICHTER GEDEON NYRT. (HU) 2022-04-12 — — US disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 — — CN 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-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists AVPR1B, AVPR1A, AVPR2 GSTP1 2774/4885GSTM2 3399/4885BCL2 2156/4885

“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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