SCHEMBL4460070

SCHEMBL4460070

O=C(Cl)c1cc(-c2ccco2)nc2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.80
POLB P06746 8/20 0.80
TDP1 Q9NUW8 7/20 0.80
ALDH1A1 P00352 7/20 0.80
L3MBTL1 Q9Y468 6/20 0.80
GLA P06280 5/20 0.80
HPGD P15428 5/20 0.80
GAA P10253 4/20 0.80
HSD17B10 Q99714 2/20 0.80
ESR1 P03372 1/20 0.80
TP53 P04637 1/20 0.80
MAPK1 P28482 1/20 0.80
RECQL P46063 5/20 0.65
PKM P14618 2/20 0.65
BLM P54132 2/20 0.65
MCL1 Q07820 2/20 0.65
APEX1 P27695 1/20 0.65
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
MAPT P10636 4/20 0.63

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
SCHEMBL13312200 0.89 KDM4E (0.80) KDM4EPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL116036 0.89 KDM4E (1.00) KDM4EPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL29703130 0.89 KDM4E (1.00) KDM4EPOLBTDP1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4472928 0.87 KDM4E (0.97) KDM4EPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL28520534 0.86 KDM4E (0.80) KDM4EPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL3331112 0.80 UBE2I (0.78) KDM4EPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL1898779 0.79 KDM4E (0.76) KDM4EPOLBMEN1KMT2ALMNA
SCHEMBL13957895 0.78 SIRT6 (0.66) KDM4EPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL23722921 0.78 CACNA1B (0.75) KDM4EPOLBTDP1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL10757465 0.78 KDM4E (0.73) KDM4EPOLBMEN1KMT2ALMNA

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-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-20060160846-A1 Quinoline derivatives SMITHKLINE BEECHAM FARMAEUTICI S.P.A. 2006-07-20 US disclosed
US-20050096316-A1 Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders FARINA CARLO (IT) 2005-05-05 US disclosed
EP-0940391-B1 Quinoline derivatives as tachykinin NK3 receptor antagonists GLAXOSMITHKLINE SPA (IT) 2004-08-18 EP disclosed
US-6743804-B2 A QUINOLINE DERIVATIVES, FOR TREATMENT OF CERTAIN CONDITIONS BY OVERSTIMULATION OF THE THACHYKININ RECEPTORS, DISORDERS OF CENTRAL NERVOUS SYSTEM, SCHIZOPHRENIA; NEURODEGENERATIVE DISORDERS ALZHEIMER DISEASE AND DOWN'S SYNDROME SMITHKLINE BEECHAM S P.A. (IT) 2004-06-01 US disclosed
US-20030236281-A1 Quinoline derivatives(2) FARINA CARLO (IT) 2003-12-25 US disclosed
US-20030195204-A1 Quinoline derivatives as NK3 antagonists SMITHKLINE BEECHAM S.P.A. 2003-10-16 US disclosed
US-6608083-B1 Treatment and/or prophylaxis of convulsive disorders, renal disorders, urinary incontinence, ocular inflammation, eating disorders, inflammatory pain, allergic rhinitis, psoriasis,neurodegenerative disorders, Huntington's disease, SMITHKLINE BEECHAM FARMACEUTICI S.P.A (IT) 2003-08-19 US disclosed
EP-0804419-B1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMA (IT) 2003-08-06 EP disclosed
CN-1428145-A Quinoline derivative as tachykinin NK3 receptor agonist SMITHKLINE BEECHEM CORP (IT) 2003-07-09 CN disclosed
EP-0874827-B1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2003-05-21 EP disclosed
CN-1092642-C Use as tachykinin NK3Quinoline derivatives of receptor antagonists SMITHKLINE BEECHAM FARMA (IT) 2002-10-16 CN disclosed
CN-1276211-A Use of non-peptides NK3-antagonist SMITHKINE BEECHEM S P A (IT) 2000-12-13 CN disclosed
EP-0940391-A2 Quinoline derivatives as tachykinin NK3 receptor antagonists Smithkline Beecham Farmaceutici S.p.A. (IT) 1999-09-08 EP disclosed
EP-0874827-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS Smithkline Becham S.P.A. (IT) 1998-11-04 EP disclosed
US-5811553-A TREATMENT OF NEURODEGENERATIVE DISORDERS, PULMONARY DISORDERS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1998-09-22 US disclosed
EP-0804419-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SmithKline Beecham Farmaceutici S.p.A. (IT) 1997-11-05 EP disclosed
CN-1156451-A Use as tachykinin NK3Quinoline derivatives of receptor antagonists SMITHKLINE BEECHAM FARMA (IT) 1997-08-06 CN disclosed
WO-1997019927-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 WO disclosed
WO-1995032948-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-12-07 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 (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-20030195204-A1 Quinoline derivatives as NK3 antagonists KCNK3, KCND3, KCNN3 KDM4E 1779/4885POLB 4503/4885TDP1 3947/4885
US-20060160846-A1 Quinoline derivatives CHRNA3, CHRNB3, KCNQ3 KDM4E 3752/4885POLB 3549/4885TDP1 2366/4885
US-20030236281-A1 Quinoline derivatives(2) KCNQ3, CHRNA3, KCNK3 KDM4E 3770/4885POLB 2643/4885TDP1 1318/4885
US-20050096316-A1 Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders TACR3, CHRNB3, CHRNA3 KDM4E 4500/4885POLB 4303/4885TDP1 2124/4885

“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.