Sugi Predict

Sugi Predict / Compounds / SCHEMBL1640182

SCHEMBL1640182

SCHEMBL1640182

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL12727135 0.88 MEN1 (0.48) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL21071485 0.87 KMT2A (0.46) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL18376207 0.87 KMT2A (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1639488 0.85 GAA (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL21071742 0.85 SMN1; SMN2 (0.51) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7522071 0.81 NPC1 (0.67) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL21069824 0.79 LMNA (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13079 0.79 ALDH1A1 (0.56) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20364252 0.78 MAPT (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1640745 0.78 MAPT (0.49) MAPTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 — — 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
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 — — EP disclosed
WO-2017007756-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC (US) 2017-01-12 — — WO disclosed
CN-102947292-B nitrogen-containing heteroaryl compounds HOFFMAN-LA ROCHE LTD. (CH) 2015-08-19 — — CN disclosed
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 — — EP disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 — — US disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 — — EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 — — US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 — — US disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 — — WO 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
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 (5 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-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 MAPT 475/4885NPC1 776/4885RAB9A 2129/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MAPT 1475/4885NPC1 4203/4885RAB9A 2739/4885
US-20140057938-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 MAPT 126/4885NPC1 848/4885RAB9A 1524/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 MAPT 475/4885NPC1 776/4885RAB9A 2129/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 MAPT 1986/4885NPC1 2389/4885RAB9A 3967/4885

“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.