SCHEMBL1639488

SCHEMBL1639488

COC(=O)c1nn(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
MAPT P10636 7/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 3/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
POLB P06746 2/20 0.47
GLA P06280 1/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 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
SCHEMBL7522071 0.87 NPC1 (0.67) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL18376210 0.86 KDM4E (0.59) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL12800771 0.86 SMN1; SMN2 (0.62) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL12727135 0.86 MEN1 (0.48) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL1640182 0.85 MAPT (0.50) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL21069235 0.84 MAPT (0.47) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL21069265 0.84 KDM4E (0.46) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL21071214 0.82 POLB (0.46) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL12800041 0.80 KDM4E (0.42) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL70479 0.80 MAPT (0.69) GAAMAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077543-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2024-09-03 US disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-20220227774-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2022-07-21 US disclosed
US-11339169-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2022-05-24 US disclosed
US-20200190096-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2020-06-18 US disclosed
CN-109996546-A P2X3And/or P2X2/3Compounds and methods 阿沙纳生物科学公司 2019-07-09 CN disclosed
US-20190092778-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2019-03-28 US disclosed
US-10174039-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2019-01-08 US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US disclosed
WO-2007061978-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061880-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 US disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 US disclosed
WO-2007055942-A2 SUBSTITUTED NICOTINAMIDE COMPOUNDS MERCK & CO., INC. (US) 2007-05-18 WO disclosed
WO-2007055941-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK & CO., INC. (US) 2007-05-18 WO disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 WO disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 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 (10 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-20220227774-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 GAA 3951/4885MAPT 4820/4885NPC1 4432/4885
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 GAA 374/4885MAPT 475/4885NPC1 776/4885
US-11339169-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 GAA 3951/4885MAPT 4820/4885NPC1 4432/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R GAA 1654/4885MAPT 1475/4885NPC1 4203/4885
US-20200190096-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 GAA 3951/4885MAPT 4820/4885NPC1 4432/4885
US-20190092778-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 GAA 3951/4885MAPT 4820/4885NPC1 4432/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 GAA 374/4885MAPT 475/4885NPC1 776/4885
US-12077543-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 GAA 3951/4885MAPT 4820/4885NPC1 4432/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 GAA 2383/4885MAPT 1986/4885NPC1 2389/4885
US-10174039-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 GAA 3951/4885MAPT 4820/4885NPC1 4432/4885

“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.