SCHEMBL5226034

SCHEMBL5226034

COc1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 1.00
HDAC3 O15379 9/20 1.00
HDAC2 Q92769 8/20 1.00
HDAC4 P56524 3/20 1.00
HDAC7 Q8WUI4 3/20 1.00
HDAC10 Q969S8 3/20 1.00
HDAC11 Q96DB2 3/20 1.00
HDAC8 Q9BY41 3/20 1.00
HDAC6 Q9UBN7 3/20 1.00
HDAC9 Q9UKV0 3/20 1.00
HDAC5 Q9UQL6 3/20 1.00
F10 P00742 1/20 0.79
EPHA2 P29317 1/20 0.78
NCOR1 O75376 1/20 0.73
MAPK1 P28482 1/20 0.68
KMT2A Q03164 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
NCOR2 Q9Y618 3/20 0.65
GAA P10253 1/20 0.63

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
SCHEMBL2415635 0.88 HDAC1 (0.79) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL19831685 0.88 HDAC1 (0.78) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8401704 0.87 HDAC1 (0.89) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4263626 0.86 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4263628 0.86 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1066040 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1064720 0.86 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1065292 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2411022 0.86 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3821744 0.85 F10 (0.93) HDAC1HDAC3HDAC2HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3062784-B1 ANTIMICROBIAL COMPOUNDS AKTHELIA PHARMACEUTICALS (IS) 2020-12-23 EP claimed
CN-105682655-B Antimicrobial compounds 阿克塞利亚制药公司 2020-03-27 CN claimed
US-9957226-B2 Antimicrobial compounds AKTHELIA PHARMACEUTICALS (IS) 2018-05-01 US claimed
US-20160257642-A1 ANTIMICROBIAL COMPOUNDS AKTHELIA PHARMACEUTICALS (IS) 2016-09-08 US claimed
CN-105682655-A Antimicrobial compounds 阿克塞利亚制药公司 2016-06-15 CN claimed
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 US disclosed
EP-3062784-B1 ANTIMICROBIAL COMPOUNDS AKTHELIA PHARMACEUTICALS (IS) 2020-12-23 EP disclosed
EP-3062784-B1 ANTIMICROBIAL COMPOUNDS AKTHELIA PHARMACEUTICALS (IS) 2020-12-23 EP disclosed
CN-105682655-B Antimicrobial compounds 阿克塞利亚制药公司 2020-03-27 CN disclosed
US-9957226-B2 Antimicrobial compounds AKTHELIA PHARMACEUTICALS (IS) 2018-05-01 US disclosed
US-9957226-B2 Antimicrobial compounds AKTHELIA PHARMACEUTICALS (IS) 2018-05-01 US disclosed
US-9957226-B2 Antimicrobial compounds AKTHELIA PHARMACEUTICALS (IS) 2018-05-01 US disclosed
WO-2015063694-A1 ANTIMICROBIAL COMPOUNDS AKTHELIA PHARMACEUTICALS (IS) 2015-05-07 WO disclosed
WO-2015063694-A1 ANTIMICROBIAL COMPOUNDS AKTHELIA PHARMACEUTICALS (IS) 2015-05-07 WO disclosed
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1517897-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2004-01-01 US disclosed
WO-2004000817-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20210009519-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 2/4885
US-20160257642-A1 ANTIMICROBIAL COMPOUNDS BECN1, SQSTM1, ATG7 HDAC1 16/4885HDAC3 4/4885HDAC2 23/4885
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 HDAC1 1422/4885HDAC3 633/4885HDAC2 1065/4885

“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.