SCHEMBL18837900

SCHEMBL18837900

CNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ POLB P06746 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ CES1 P23141 1/20 0.55
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51

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
SCHEMBL223451 0.94 MAPT (0.63) MAPTL3MBTL1POLBMAPK1KMT2A
SCHEMBL3047151 0.85 MAPT (0.57) MAPTL3MBTL1POLBMAPK1KMT2A
SCHEMBL28895007 0.84 POLB (0.53) MAPTPOLBMAPK1KMT2AMEN1
SCHEMBL27815181 0.83 MAPT (0.67) MAPTL3MBTL1POLBMAPK1KMT2A
SCHEMBL16198923 0.82 HDAC6 (0.70) CA2TSHRHDAC1HDAC2
SCHEMBL14115137 0.82 HDAC6 (0.70) CA2TSHRHDAC1HDAC2
SCHEMBL8525187 0.82 POLB (0.57) MAPTPOLBMAPK1KMT2AMEN1
Diphenylether SCHEMBL6868881 0.81 FFAR1 (0.62) MAPTL3MBTL1POLBMAPK1KMT2A
SCHEMBL16367722 0.81 KMT2A (0.76) MAPTPOLBMAPK1KMT2AMEN1
SCHEMBL11060793 0.80 KDM4E (0.68) MAPTL3MBTL1POLBMAPK1KMT2A

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
US-10611747-B2 Pyrone based compounds for treating bacterial infections FORGE THERAPEUTICS, INC. (US) 2020-04-07 — — US disclosed
US-20180319761-A1 PYRONE BASED COMPOUNDS FOR TREATING BACTERIAL INFECTIONS BLACKSMITH MEDICINES, INC. 2018-11-08 — — US disclosed
EP-3374355-A1 PYRONE BASED COMPOUNDS FOR TREATING BACTERIAL INFECTIONS Forge Therapeutics, Inc. (US) 2018-09-19 — — EP disclosed
WO-2017083434-A1 PYRONE BASED COMPOUNDS FOR TREATING BACTERIAL INFECTIONS FORGE THERAPEUTICS, INC. (US) 2017-05-18 — — 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 (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-10611747-B2 Pyrone based compounds for treating bacterial infections PYCARD, GSDMD, NOD2 MAPT 2970/4885L3MBTL1 4040/4885POLB 1175/4885
US-20180319761-A1 PYRONE BASED COMPOUNDS FOR TREATING BACTERIAL INFECTIONS PYCARD, GSDMD, NOD2 MAPT 2970/4885L3MBTL1 4040/4885POLB 1175/4885

“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.

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