SCHEMBL28447446

SCHEMBL28447446

CC1(C)OC(=O)C(=C(O)Cc2cc(F)ccc2[N+](=O)[O-])C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
PTPN1 P18031 4/20 0.37
ACP1 P24666 2/20 0.37
CDC25B P30305 2/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL30435003 1.00 SNCA (0.40) SNCATDP1ATMALDH1A1MAPT
SCHEMBL21061886 0.86 TSHR (0.42) ALDH1A1PTPN1ACP1CDC25BMAOA
SCHEMBL21061683 0.85 KMT2A (0.41) ATMALDH1A1MAPTMAPK1PTPN1
SCHEMBL28445030 0.85 PTPN1 (0.37) ALDH1A1MAPTPTPN1ACP1CDC25B
SCHEMBL21061949 0.85 HPD (0.41) TDP1ALDH1A1MAPTMAPK1CYP1A2
SCHEMBL29500904 0.85 HPD (0.41) TDP1ALDH1A1MAPTMAPK1CYP1A2
SCHEMBL21062120 0.83 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1PTPN1MAOA
SCHEMBL29500903 0.83 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1PTPN1MAOA
SCHEMBL8307611 0.83 PTPN1 (0.41) ALDH1A1MAPTPTPN1ACP1CDC25B
SCHEMBL29500921 0.81 TDP1 (0.40) SNCATDP1ATMALDH1A1MAPT

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 SNCA 1511/4885TDP1 3207/4885ATM 4370/4885

“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.