SCHEMBL8979265

SCHEMBL8979265

O=C(O)CCCc1ncc[nH]1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.87
TERT O14746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
Hydrochloric Acid SCHEMBL11657876 0.98 TBXAS1 (0.87) TBXAS1TERTALDH1A1MAPTTAAR1
SCHEMBL4655987 0.95 TBXAS1 (0.97) TBXAS1TERTMAPTTAAR1FDPS
SCHEMBL1091991 0.93 TBXAS1 (1.00) TBXAS1TERTMAPT
SCHEMBL28703772 0.93 TBXAS1 (1.00) TBXAS1TERTMAPT
SCHEMBL1460951 0.93 TBXAS1 (1.00) TBXAS1TERTMAPT
SCHEMBL7051672 0.93 TBXAS1 (1.00) TBXAS1TERTMAPT
SCHEMBL11009198 0.93 TBXAS1 (1.00) TBXAS1TERTMAPT
SCHEMBL434767 0.89 TBXAS1 (0.74) TBXAS1TERTTAAR1SMN1; SMN2FDPS
SCHEMBL30620153 0.89 TBXAS1 (0.74) TBXAS1TERTTAAR1SMN1; SMN2FDPS
Valeric Acid SCHEMBL28634371 0.89 TBXAS1 (0.74) TBXAS1ALDH1A1HDAC11HRH4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113235187-B Hyaluronic acid electrostatic spinning fiber containing polyion liquid and preparation method thereof 常州大学 2022-11-04 CN disclosed
CN-114702606-A Zwitterion modified polysaccharide polymer and preparation method and application thereof 深圳华源再生医学有限公司 2022-07-05 CN disclosed
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US disclosed
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 US disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 US disclosed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 US disclosed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 US disclosed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 WO disclosed
US-5512486-A Single step signal group-imidazole labeling of organic phosphate groups under aqueous conditions NORTHEASTERN UNIVERSITY (US) 1996-04-30 US disclosed
EP-0563705-A2 Cycloalkyl- and heterocyclyl substituted imidazolylpropenic acid derivatives BAYER AG (DE) 1993-10-06 EP disclosed
EP-0557842-A2 Sulphonylbenzyl substituted imidazolylpropenic acid derivatives BAYER AG (DE) 1993-09-01 EP disclosed
US-5225428-A Hypotensive and anti-atherosclerotic agents BAYER AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0237138-A1 Heterocyclic compounds, their preparation and, pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1987-09-16 EP disclosed
EP-0130077-A2 Phenoxy derivatives, their preparation, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1985-01-02 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 (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-20090258016-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC TBXAS1 900/4885TERT 3877/4885ALDH1A1 408/4885
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 TBXAS1 1027/4885TERT 3492/4885ALDH1A1 4054/4885
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES ABCG2, CYP2C19, AADAC TBXAS1 900/4885TERT 3877/4885ALDH1A1 408/4885

“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.