SCHEMBL28448773

SCHEMBL28448773

CCOC(=O)CC(N)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAOB P27338 1/20 0.41
DPP4 P27487 1/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4657628 0.86 MAPK1 (0.47) MAPK1MEN1KMT2AL3MBTL1RAB9A
SCHEMBL4657899 0.85 KMT2A (0.48) MAPK1MEN1KMT2AL3MBTL1RAB9A
SCHEMBL4657923 0.85 MAPK1 (0.46) MAPK1MEN1KMT2AL3MBTL1RAB9A
SCHEMBL8529543 0.83 L3MBTL1 (0.48) MAPK1MEN1KMT2AL3MBTL1RAB9A
SCHEMBL8529545 0.83 L3MBTL1 (0.48) MAPK1MEN1KMT2AL3MBTL1RAB9A
SCHEMBL17241720 0.81 TSHR (0.52) MEN1KMT2AL3MBTL1KDM4ELMNA
SCHEMBL30619954 0.80 L3MBTL1 (0.56) MAPK1MEN1KMT2AL3MBTL1RAB9A
SCHEMBL1572954 0.80 L3MBTL1 (0.56) MAPK1MEN1KMT2AL3MBTL1RAB9A
SCHEMBL31031180 0.79 MAPK1 (0.61) MAPK1MEN1KMT2AL3MBTL1RAB9A
SCHEMBL3796044 0.79 MAPK1 (0.61) MAPK1MEN1KMT2AL3MBTL1RAB9A

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 MAPK1 1278/4885MEN1 867/4885KMT2A 2597/4885

“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.