SCHEMBL4814912

SCHEMBL4814912

O=C(NO)c1ccc(C#CC2(NC(=O)c3cc4ccccc4s3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
BCL2L1 Q07817 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
ADORA1 P30542 1/20 0.39
STAT1 P42224 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL4255213 0.91 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL4819147 0.77 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL4817432 0.77 HDAC1 (0.59) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL4816193 0.77 CNR2 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL4808840 0.77 TDP1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL4819571 0.75 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL4819566 0.75 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL29874896 0.74 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL999904 0.74 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL4819143 0.73 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP claimed
EP-1656348-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2006-05-17 EP claimed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US claimed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 WO claimed
CN-119736336-A CLEC10A gene modified non-human animal 百奥赛图(北京)医药科技股份有限公司 2025-04-01 CN disclosed
CN-118871449-A Novel carbohydrate derivatives as mimics of blood group A and B antigens 瑞玛布治疗有限公司 2024-10-29 CN disclosed
CN-118348134-A Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI and VII 华盛顿大学商业中心 2024-07-16 CN disclosed
CN-112986429-B Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI and VII 华盛顿大学商业中心 2024-03-29 CN disclosed
CN-116926052-A Use of nucleotides as Am2136 activators 四川大学华西医院 2023-10-24 CN disclosed
CN-109053822-B Glycosyl-containing naphthalimide fluorescent probe and application thereof 中国农业大学 2020-10-09 CN disclosed
US-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-7368572-B2 Acetylene derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-05-06 US disclosed
US-7332279-B2 UDP-galactose: β-N-acetyl-glucosamine β1,3 galactosyltransferases, β3gal-T5 GLYCOZYM APS (DK) 2008-02-19 US disclosed
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP disclosed
EP-1656348-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2006-05-17 EP disclosed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US disclosed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 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 (2 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-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC10, HDAC2 HDAC1 1/4885HDAC6 10/4885HDAC3 6/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 HDAC1 1/4885HDAC6 10/4885HDAC3 6/4885

“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.