SCHEMBL730608

SCHEMBL730608

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 7/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2C19 P33261 2/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PTPN1 P18031 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL30435534 1.00 MAPK1 (0.56) MAPK1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL31031180 0.88 MAPK1 (0.61) MAPK1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3796044 0.88 MAPK1 (0.61) MAPK1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL27809104 0.84 MAPK1 (0.52) MAPK1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6714216 0.82 MAPT (0.43) MAPK1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL29507039 0.82 MAPT (0.43) MAPK1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2606755 0.81 KMT2A (0.55) MAPK1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1919090 0.81 CYP4F2 (0.63) MAPK1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL31016519 0.81 KMT2A (0.55) MAPK1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL19049635 0.81 KMT2A (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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 11 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
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
EP-1863813-A2 PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107771-A2 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
US-4067871-A INTERMEDIATES FOR PHOTOGRAPHIC DEVELOPERS POLAROID CORPORATION (US) 1978-01-10 US disclosed
US-4067872-A PHOTOGRAPHIC SILVER HALIDE DEVELOPERS POLAROID CORPORATION (US) 1978-01-10 US disclosed
US-4040832-A SILVER HALIDE EMULSIONS POLAROID CORPORATION (US) 1977-08-09 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 (2 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-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods IL4, IL2, IL5 MAPK1 1362/4885SMN1; SMN2 4464/4885MEN1 3427/4885
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists AVPR1B, AVPR1A, AVPR2 MAPK1 1278/4885SMN1; SMN2 4312/4885MEN1 867/4885

“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.