SCHEMBL2020180

SCHEMBL2020180

N#Cc1cc(CCO)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.38
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP14 Q460N5 1/20 0.36
XDH P47989 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PDE4A P27815 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4526795 0.89 MYC (0.39) MYCRECQLPARP14XDHABCG2
SCHEMBL454924 0.85 RECQL (0.52) MYCRECQLPARP14XDHABCG2
SCHEMBL4833060 0.81 MYC (0.37) MYCRECQLPARP14XDHABCG2
SCHEMBL14614499 0.81 LOXL2 (0.45) MYCKDM4EALDH1A1GAAMAPT
SCHEMBL2960938 0.81 MEN1 (0.52) MYCPARP14XDHABCG2PRMT5
SCHEMBL2547947 0.81 CTSK (0.40) MYCKDM4EALDH1A1GAAHPGD
SCHEMBL27677466 0.81 MYC (0.37) MYCPARP14XDHABCG2PRMT5
SCHEMBL28024986 0.81 MYC (0.37) MYCPARP14XDHABCG2PRMT5
SCHEMBL741908 0.80 PRMT5 (0.38) MYCRECQLPARP14XDHABCG2
Hydrochloric Acid SCHEMBL2020607 0.80 LOXL2 (0.44) MYCKDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956060-B2 Pyrimidine derivative compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-06-07 US disclosed
CN-101516835-A Selective androgen receptor modulators, analogs and derivatives thereof and uses thereof OSURF OHIO STATE UNIVERSITY RE (US) 2009-08-26 CN disclosed
US-20090156614-A1 Selective androgen receptor modulators, analogs and derivatives thereof and uses thereof OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2009-06-18 US disclosed
US-20090156614-A1 Selective androgen receptor modulators, analogs and derivatives thereof and uses thereof OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2009-06-18 US disclosed
EP-2041077-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS, ANALOGS AND DERIVATIVES THEREOF AND USES THEREOF THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-04-01 EP disclosed
US-20090012060-A1 Antitumor Agent KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-01-08 US disclosed
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
WO-2008011072-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS, ANALOGS AND DERIVATIVES THEREOF AND USES THEREOF OSURF (OHIO STATE UNIVERSITY RESEARCH FOUNDATION) (US) 2008-01-24 WO disclosed
EP-1749827-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-07 EP disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0275820-A2 Unsaturated phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1988-07-27 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 (4 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 MYC 4564/4885KDM4E 3205/4885ALDH1A1 2408/4885
US-20090012060-A1 Antitumor Agent NR1H3, NR1I3, NR0B1 MYC 737/4885KDM4E 985/4885ALDH1A1 1834/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 MYC 4758/4885KDM4E 3503/4885ALDH1A1 2261/4885
US-20090156614-A1 Selective androgen receptor modulators, analogs and derivatives thereof and uses thereof AR, ESRRA, ESRRB MYC 935/4885KDM4E 1806/4885ALDH1A1 2288/4885

“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.