SCHEMBL2093513

SCHEMBL2093513

CCc1ccc(CCNC(C)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.72
F13A1 P00488 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.66
ALDH1A1 P00352 2/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
PTGS1 P23219 1/20 0.61
BLM P54132 1/20 0.61
HIF1A Q16665 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ACACB O00763 5/20 0.58
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL10592850 0.92 KDM4E (0.84) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6845396 0.88 KDM4E (0.72) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL15580134 0.85 KDM4E (0.53) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5987671 0.84 KDM4E (0.72) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL11553305 0.84 KDM4E (0.72) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL734658 0.84 KDM4E (1.00) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL661278 0.84 KDM4E (0.72) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4511148 0.84 KDM4E (0.52) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1421841 0.82 KDM4E (0.70) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL553085 0.82 KDM4E (0.70) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11690390-B2 Taste modifying product FIRMENICH SA (CH) 2023-07-04 US disclosed
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
EP-2418942-B1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RES INST (US) 2017-08-23 EP disclosed
US-8937193-B2 Apogossypolone derivatives as anticancer agents SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-20 US disclosed
US-8937193-B2 Apogossypolone derivatives as anticancer agents SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-20 US disclosed
US-8436207-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2013-05-07 US disclosed
US-8436207-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2013-05-07 US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed
US-20110112112-A1 APOGOSSYPOLONE DERIVATIVES AS ANTICANCER AGENTS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-05-12 US disclosed
US-20110112112-A1 APOGOSSYPOLONE DERIVATIVES AS ANTICANCER AGENTS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-05-12 US disclosed
WO-2011044375-A2 APOGOSSYPOLONE DERIVATIVES AS ANTICANCER AGENTS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-04-14 WO disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 US disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 US disclosed
WO-2010120943-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2010-10-21 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 (6 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 KDM4E 3258/4885F13A1 4496/4885SMN1; SMN2 595/4885
US-20110112112-A1 APOGOSSYPOLONE DERIVATIVES AS ANTICANCER AGENTS CYP17A1, HSD17B7, CYP27A1 KDM4E 4210/4885F13A1 3527/4885SMN1; SMN2 4229/4885
US-11690390-B2 Taste modifying product TAS2R5, TAS2R1, TAS2R45 KDM4E 471/4885F13A1 531/4885SMN1; SMN2 3115/4885
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS HAX1, BAX, APOL1 KDM4E 4607/4885F13A1 4193/4885SMN1; SMN2 2591/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA KDM4E 2184/4885F13A1 4385/4885SMN1; SMN2 839/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 KDM4E 4564/4885F13A1 4487/4885SMN1; SMN2 2796/4885

“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.