SCHEMBL362249

SCHEMBL362249

[N-]=[N+]=CC(=O)c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
ALDH1A1 P00352 8/20 0.50
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HIF1A Q16665 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 2/20 0.46
POLB P06746 2/20 0.46
ALPG P10696 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL204317 0.79 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL8871035 0.79 CES2 (0.55) PARP1ALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL9448999 0.79 PARP1 (0.52) PARP1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL8715637 0.79 ALDH1A1 (0.53) PARP1ALDH1A1MAPTHTTMEN1
SCHEMBL9449177 0.78 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2HTTMEN1
SCHEMBL1927123 0.77 KMO (0.55) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL3059556 0.77 PARP1 (0.59) PARP1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL9448994 0.77 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL82420 0.77 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2HTTLMNA
Water SCHEMBL8938106 0.76 PARP1 (0.57) PARP1ALDH1A1MAPTSMN1; SMN2HTT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840504-B2 Method for preparing perfluoroalkyl sulfinate ester SOOCHOW UNIVERSITY (CN) 2023-12-12 US disclosed
CN-113248458-B Preparation method of alpha-carbonyl amide compound 陕西省煤田地质集团有限公司 2022-09-27 CN disclosed
CN-113248458-A Preparation method of alpha-carbonyl amide compound 陕西省煤田地质集团有限公司 2021-08-13 CN disclosed
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP disclosed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US disclosed
US-8846658-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CN) 2014-04-24 US disclosed
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS HOLZER PHILIPP (CH) 2014-03-27 US disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG 2011-01-27 US disclosed
WO-2011009943-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-01-27 WO disclosed
US-5693648-A TREATMENT OF AUTOIMMUNE DISEASES, INFECTIOUS DISEASES, PREVENTING REJECTION OF ORGAN TRANSPLANTS MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5565560-A TREATING AUTOIMMUNE DISEASES, PREVENTING TRANSPLANT REJECTION MERCK & CO., INC. (US) 1996-10-15 US disclosed
US-5532248-A O-aryl,O-alkyl, and O-alkenyl-macrolides having immunosuppressive activity MERCK CO., INC. (US) 1996-07-02 US disclosed
WO-1995009857-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-04-13 WO disclosed
EP-0466730-B1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1993-07-21 EP disclosed
US-5220021-A Geminal bisphosphonic acids and derivatives as anti-arthritic agents THE UPJOHN COMPANY (US) 1993-06-15 US disclosed
EP-0466730-A1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS. UPJOHN CO (US) 1992-01-22 EP disclosed
WO-1990012017-A1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1990-10-18 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 (6 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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP PARP1 2484/4885ALDH1A1 2685/4885MAPT 69/4885
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C PARP1 4628/4885ALDH1A1 508/4885MAPT 45/4885
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C PARP1 4628/4885ALDH1A1 508/4885MAPT 45/4885
US-11840504-B2 Method for preparing perfluoroalkyl sulfinate ester TERT, TST, CTH PARP1 2825/4885ALDH1A1 210/4885MAPT 1874/4885
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C PARP1 4628/4885ALDH1A1 508/4885MAPT 45/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C PARP1 4628/4885ALDH1A1 508/4885MAPT 45/4885

“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.