SCHEMBL14913985

SCHEMBL14913985

CC(C)(O)Cn1nc([N+](=O)[O-])cc1CO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL20073784 0.81 HTT (0.43) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL25509748 0.79 HTT (0.41) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16794437 0.78 MEN1 (0.40) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL26100639 0.77 HTT (0.36) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL22421138 0.77 HTT (0.41) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14917639 0.77 LMNA (0.47) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL173687 0.76 HTT (0.38) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16622729 0.76 HTT (0.38) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31497522 0.76 HTT (0.38) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL611566 0.74 HTT (0.38) HTTALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 EP disclosed
EP-3521288-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2021-09-08 EP disclosed
US-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2021-03-18 US disclosed
US-RE48239-E1 Heteroaryl pyridone and aza-pyridone compounds GENETECH, INC. (US) 2020-10-06 US disclosed
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2020-02-27 US disclosed
US-8669251-B2 8-fluorophthalazin-1(2H)-one compounds GENENTECH, INC. (US) 2014-03-11 US disclosed
US-8669251-B2 8-fluorophthalazin-1(2H)-one compounds GENENTECH, INC. (US) 2014-03-11 US disclosed
US-8669251-B2 8-fluorophthalazin-1(2H)-one compounds GENENTECH, INC. (US) 2014-03-11 US disclosed
WO-2013067274-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
WO-2013067264-A1 8-FLUOROPHTHALAZIN-1 (2H) - ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
WO-2013067264-A1 8-FLUOROPHTHALAZIN-1 (2H) - ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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 (7 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-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK HTT 4310/4885ALDH1A1 4769/4885MEN1 3319/4885
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 HTT 3865/4885ALDH1A1 4561/4885MEN1 2841/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B HTT 1969/4885ALDH1A1 3735/4885MEN1 3963/4885
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 HTT 3865/4885ALDH1A1 4561/4885MEN1 2841/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 HTT 3865/4885ALDH1A1 4561/4885MEN1 2841/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 HTT 4627/4885ALDH1A1 4251/4885MEN1 2334/4885
US-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 HTT 3865/4885ALDH1A1 4561/4885MEN1 2841/4885

“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.