SCHEMBL2984367

SCHEMBL2984367

[CH2]NC(=O)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
TSHR P16473 3/20 0.50
EPHX1 P07099 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPK1 P28482 1/20 0.47
HSD11B1 P28845 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PTPN1 P18031 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CETP P11597 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL6959156 1.00 HDAC8 (0.61) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL6959906 1.00 HDAC8 (0.61) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL734213 0.97
SCHEMBL1705466 0.92
SCHEMBL289751 0.86
SCHEMBL12323193 0.78 HDAC8 (0.67) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL7056987 0.78 HDAC8 (0.67) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL3077769 0.76 HDAC6 (1.00) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL28376355 0.76 HDAC8 (0.64) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL5140992 0.76 HDAC6 (1.00) HDAC8HDAC6TSHREPHX1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266878-A1 NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2015-09-24 US claimed
CN-104837842-A Novel bi-ring phenyl-pyridines/pyrazines for treatment of cancer HOFFMANN LA ROCHE 2015-08-12 CN claimed
US-9096598-B2 Azaindoles as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US claimed
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP claimed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP claimed
US-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US claimed
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-08 US claimed
EP-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 EP claimed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO claimed
US-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2022-06-30 US disclosed
EP-3962900-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ISAGRO S.p.A. (IT) 2022-03-09 EP disclosed
CN-113784952-A Esters of non-aromatic heterocyclic compounds with nematicidal activity, their agronomic compositions and uses thereof 伊萨格罗股份公司 2021-12-10 CN disclosed
WO-2020222118-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF. ISAGRO S.P.A. (IT) 2020-11-05 WO disclosed
EP-2763535-B1 AZAINDOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 EP disclosed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO disclosed
WO-2005040095-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV ASTRAZENECA AB (SE) 2005-05-06 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 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-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ACHE, CYP51A1, DNPH1 HDAC8 307/4885HDAC6 605/4885TSHR 3995/4885
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 HDAC8 2706/4885HDAC6 3683/4885TSHR 250/4885
US-20150266878-A1 NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER RB1, TP53, BRD4 HDAC8 936/4885HDAC6 243/4885TSHR 798/4885

“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.