SCHEMBL2303341

SCHEMBL2303341

O=C(NCC1CC1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.63
CTSL P07711 1/20 0.62
CTSB P07858 1/20 0.62
CTSK P43235 1/20 0.62
KDM4E B2RXH2 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
GAA P10253 1/20 0.59
MAPK14 Q16539 2/20 0.58

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
Benzoic Acid SCHEMBL28285625 0.95 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11518102 0.93 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8391563 0.93 SMN1; SMN2 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8393362 0.93 SMN1; SMN2 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8598520 0.92 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10099589 0.92 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7487285 0.92 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25123079 0.91 SMN1; SMN2 (0.76) HDAC3HDAC6SMN1; SMN2CTSLCTSB
SCHEMBL8395225 0.91 SMN1; SMN2 (0.76) HDAC3HDAC6SMN1; SMN2CTSLCTSB
SCHEMBL4522241 0.91 SMN1; SMN2 (0.76) HDAC3HDAC6SMN1; SMN2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015193229-A1 BET-PROTEIN INHIBITING 1,4-DIHYDROPYRIDO[3,4-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO claimed
WO-2012160464-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-29 WO claimed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US claimed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP claimed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US claimed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US claimed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
CN-119504643-A 3- (2-Aminobenzo [ d ] thiazol-5-yl) benzamide derivative and preparation method and application thereof 贵州省天然产物研究中心 2025-02-25 CN disclosed
CN-115872889-B Method for preparing o-trifluoromethyl aniline compound 沈阳中化农药化工研发有限公司 2024-10-18 CN disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R HDAC3 231/4885HDAC4 882/4885HDAC1 419/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R HDAC3 231/4885HDAC4 882/4885HDAC1 419/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R HDAC3 344/4885HDAC4 991/4885HDAC1 628/4885

“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.