Sugi Predict

Sugi Predict / Compounds / SCHEMBL1640745

SCHEMBL1640745

SCHEMBL1640745

Nc1nn(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.46
▸ ADORA2A P29274 5/20 0.43
▸ ADORA1 P30542 5/20 0.43
▸ ADORA2B P29275 3/20 0.43
▸ ADORA3 P0DMS8 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL18376213 0.85 LMNA (0.43) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL20364252 0.80 MAPT (0.49) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL1640182 0.78 MAPT (0.50) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL20364253 0.76 HSP90AA1 (0.46) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL28849533 0.76 MEN1 (0.50) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL14053077 0.76 HSP90AA1 (0.46) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL12727135 0.75 MEN1 (0.48) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL20364254 0.74 MAPT (0.44) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL27915192 0.74 HSP90AA1 (0.44) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL27915190 0.74 HSP90AA1 (0.44) MAPTMEN1KMT2ALMNARAB9A

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 61 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
WO-2017007756-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC (US) 2017-01-12 — — WO disclosed
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 — — EP disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
WO-2007061978-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-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 475/4885MEN1 3970/4885KMT2A 48/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MAPT 1475/4885MEN1 198/4885KMT2A 2851/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 MAPT 475/4885MEN1 3970/4885KMT2A 48/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 MAPT 1986/4885MEN1 2316/4885KMT2A 185/4885
US-20130131041-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 MAPT 1986/4885MEN1 2316/4885KMT2A 185/4885

“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.