SCHEMBL5248286

SCHEMBL5248286

COC(=O)c1cnc(N)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.50
OPRK1 P41145 1/20 0.50
VCAM1 P19320 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TPMT P51580 1/20 0.42
PSMD14 O00487 1/20 0.42
ATM Q13315 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
SCHEMBL11377331 0.84 MAPK1 (0.59) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL710164 0.84 NPC1 (0.53) MAPK1MAPTPOLBKDM4EKMT2A
SCHEMBL18038271 0.83 MAPK1 (0.57) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL72992 0.83 MAPT (0.57) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL31440674 0.83 MAPT (0.57) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL4662535 0.82 MAPT (0.64) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL40980 0.82 MAPT (0.50) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL13285512 0.82 MAPK1 (0.56) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL72187 0.82 MAPT (0.56) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL18227400 0.82 MAPK1 (0.56) MAPK1MAPTPOLBL3MBTL1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602812-B Bicyclic hydroxamic acids useful as inhibitors of histone deacetylase activity in mammals 坎塞拉有限公司 2021-11-02 CN disclosed
EP-3394052-B1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2021-07-28 EP disclosed
US-10654814-B2 Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity KANCERA AB (SE) 2020-05-19 US disclosed
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2019-09-19 US disclosed
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed
EP-3394052-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY Kancera AB (SE) 2018-10-31 EP disclosed
EP-2714660-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-09-26 EP disclosed
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 US disclosed
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 US disclosed
US-9938261-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2018-04-10 US disclosed
US-6313137-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 US disclosed
EP-0399731-B2 Azaindenes ASTRAZENECA AB (SE) 2001-07-11 EP disclosed
EP-1073657-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 EP disclosed
WO-1999055706-A9 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRA AB (SE) 2000-03-16 WO disclosed
WO-1999055706-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 WO disclosed
EP-0399731-B1 Azaindenes ZENECA LTD (GB) 1993-12-08 EP disclosed
EP-0399731-A1 Azaindenes ZENECA LIMITED (GB) 1990-11-28 EP disclosed
US-4880815-A GASTRIC JUICE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed
US-4738970-A Benzimidazolyl-thio-tetrahydroquinolines and anti-peptic ulcer compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0187977-A1 Tetrahydroquinoline derivatives, process for preparing the same and anti-peptic ulcer compositions containg the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-23 EP 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 (3 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-10654814-B2 Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity HDAC1, HDAC11, HDAC10 MAPK1 847/4885MAPT 1282/4885POLB 59/4885
US-20190284147-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC1, HDAC11, HDAC10 MAPK1 847/4885MAPT 1282/4885POLB 59/4885
US-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MAPK1 1229/4885MAPT 484/4885POLB 2844/4885

“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.