SCHEMBL4469423

SCHEMBL4469423

COC(=O)c1ccsc1CNC(=O)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
MAPK1 P28482 1/20 0.64
TACR3 P29371 2/20 0.64
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.60
HTT P42858 2/20 0.58
NPC1 O15118 1/20 0.58
TP53 P04637 1/20 0.58
RAB9A P51151 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 5/20 0.56
MAPT P10636 2/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.54

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
SCHEMBL4466010 0.85 LMNA (0.67) LMNAMAPK1TACR3ALDH1A1KDM4E
SCHEMBL28806105 0.81 TACR3 (0.76) LMNAMAPK1TACR3ALDH1A1KDM4E
SCHEMBL2576382 0.80 KDM4E (0.76) LMNAMAPK1TACR3ALDH1A1KDM4E
SCHEMBL6447858 0.79 LMNA (0.65) LMNATACR3ALDH1A1KDM4EHTT
SCHEMBL6450086 0.79 TACR3 (1.00) LMNAMAPK1TACR3ALDH1A1KDM4E
SCHEMBL6451951 0.77 TACR3 (0.61) LMNATACR3ALDH1A1KDM4EHTT
SCHEMBL6449717 0.77 TACR3 (0.62) LMNAMAPK1TACR3ALDH1A1KDM4E
SCHEMBL6447770 0.76 TACR3 (0.75) LMNAMAPK1TACR3ALDH1A1KDM4E
SCHEMBL9059538 0.75 MEN1 (0.78) LMNAALDH1A1KDM4EHTTNPC1
SCHEMBL14623959 0.75 TACR3 (0.72) LMNATACR3ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP claimed
EP-0940391-B1 Quinoline derivatives as tachykinin NK3 receptor antagonists GLAXOSMITHKLINE SPA (IT) 2004-08-18 EP claimed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US claimed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO claimed
US-20030236281-A1 Quinoline derivatives(2) FARINA CARLO (IT) 2003-12-25 US claimed
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 claimed
EP-1192952-A2 Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-04-03 EP claimed
EP-0940391-A2 Quinoline derivatives as tachykinin NK3 receptor antagonists Smithkline Beecham Farmaceutici S.p.A. (IT) 1999-09-08 EP claimed
EP-0804419-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SmithKline Beecham Farmaceutici S.p.A. (IT) 1997-11-05 EP claimed
WO-1995032948-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-12-07 WO claimed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 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-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP 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
EP-0804419-B1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMA (IT) 2003-08-06 EP disclosed
EP-1192952-A2 Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-04-03 EP 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
WO-1997019927-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 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 (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-20040006135-A1 Combination treatment for depression and anxiety TACR1, NPSR1, HTR3A LMNA 1589/4885MAPK1 1628/4885TACR3 86/4885
US-20030236281-A1 Quinoline derivatives(2) KCNQ3, CHRNA3, KCNK3 LMNA 2151/4885MAPK1 3014/4885TACR3 31/4885
US-20050096316-A1 Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders TACR3, CHRNB3, CHRNA3 LMNA 1795/4885MAPK1 2648/4885TACR3 1/4885

“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.