SCHEMBL1306308

SCHEMBL1306308

CCCNN1CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
USP2 O75604 1/20 0.38
PIK3CD O00329 1/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL28186866 0.87 ALOX5 (0.39) BRD4BRD2PIK3CDKMT2ALMNA
SCHEMBL11209111 0.85 ALOX5 (0.41) BRD4BRD2GAAALDH1A1HSD17B10
SCHEMBL9264820 0.83
SCHEMBL7098874 0.82 ALDH1A1 (0.34) USP2KMT2ALMNAGAAALDH1A1
SCHEMBL22163800 0.80 LMNA (0.38) BRD4BRD2PIK3CDKMT2ALMNA
SCHEMBL6645161 0.80 BRD4 (0.35) BRD4BRD2PIK3CDKMT2ALMNA
SCHEMBL7368280 0.77 TSHR (0.34) BRD4BRD2PIK3CDKMT2ALMNA
SCHEMBL8915607 0.74 GNAI3 (0.41) TSHRGAAALDH1A1PKMALOX5
SCHEMBL761439 0.72
SCHEMBL16439947 0.71 LMNA (0.42) USP2KMT2ALMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104403040-B Ion exchange resin 苏州赛分科技有限公司 2017-05-03 CN claimed
CN-104403040-A Ion exchange resin SEPAX TECHNOLOGIES SUZHOU CO LTD 2015-03-11 CN claimed
CN-104403040-B Ion exchange resin 苏州赛分科技有限公司 2017-05-03 CN disclosed
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
CN-104403040-A Ion exchange resin SEPAX TECHNOLOGIES SUZHOU CO LTD 2015-03-11 CN disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 US disclosed
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 WO disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 WO disclosed
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-0413191-B1 1-(Pyridinylamino)-2-pyrrolidinones, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-07-27 EP disclosed
EP-0413191-A1 1-(Pyridinylamino)-2-pyrrolidinones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-02-20 EP disclosed
US-4994472-A Cognition activators HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-02-19 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 (1 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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 BRD4 26/4885BRD2 64/4885USP2 1415/4885

“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.