SCHEMBL1608633

SCHEMBL1608633

O=C(NO)c1ccc2nc[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 1.00
▸ POLB P06746 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ HTT P42858 3/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ CASP6 P55212 2/20 0.63
▸ CTDSP1 Q9GZU7 1/20 0.63
▸ RAB9A P51151 6/20 0.60
▸ NPC1 O15118 6/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ NAMPT P43490 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ GAA P10253 1/20 0.58
▸ HDAC3 O15379 1/20 0.56

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
SCHEMBL1608962 0.87 HDAC6 (0.77) HDAC6POLBKMT2ASMN1; SMN2HTT
SCHEMBL1055278 0.85 HDAC6 (0.74) HDAC6POLBKMT2ASMN1; SMN2HTT
SCHEMBL11172 0.85 HDAC6 (0.74) HDAC6POLBKMT2ASMN1; SMN2HTT
SCHEMBL30265442 0.85 HDAC6 (0.74) HDAC6POLBKMT2ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL17802641 0.84 HDAC6 (0.72) HDAC6POLBKMT2ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL30483213 0.84 HDAC6 (0.72) HDAC6POLBKMT2ASMN1; SMN2HTT
SCHEMBL28462805 0.81 HDAC6 (0.68) HDAC6POLBKMT2ASMN1; SMN2HTT
SCHEMBL2355364 0.81 HTT (0.70) HDAC6POLBKMT2ASMN1; SMN2HTT
SCHEMBL5946 0.81 RAB9A (0.71) HDAC6POLBKMT2ASMN1; SMN2HTT
SCHEMBL30265434 0.80 HTT (0.72) HDAC6POLBKMT2ASMN1; SMN2HTT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673349-A4 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2008-01-23 — — EP claimed
JP-2007505942-A — — 2007-03-15 — — JP claimed
EP-1673349-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-06-28 — — EP claimed
WO-2005028447-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-03-31 — — WO claimed
EP-3294715-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY Kancera AB (SE) 2018-03-21 — — EP disclosed
WO-2016180472-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2016-11-17 — — WO disclosed
EP-2265590-B1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC (US) 2016-04-13 — — EP disclosed
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 — — US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 — — US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 — — US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 — — US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 — — US disclosed
EP-2265590-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-12-29 — — EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 — — WO disclosed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 — — WO disclosed
EP-1202731-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 — — EP disclosed
EP-1144385-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 — — EP disclosed
WO-2001005390-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 — — WO disclosed
WO-2000042022-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 — — 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 (3 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885POLB 797/4885KMT2A 74/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885POLB 797/4885KMT2A 55/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885POLB 797/4885KMT2A 74/4885

“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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