SCHEMBL4461409

SCHEMBL4461409

Cc1cccc2nc(-c3ccccc3)cc(C(=O)O)c12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
LMNA P02545 2/20 0.63
PDE10A Q9Y233 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
DHODH Q02127 5/20 0.60
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PTGER4 P35408 2/20 0.59
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
POLB P06746 1/20 0.54
HTT P42858 1/20 0.53
CYP19A1 P11511 1/20 0.53
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
PPARA Q07869 1/20 0.51

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
SCHEMBL8613202 0.82 KDM4E (0.63) KDM4ELMNAPDE10ASMN1; SMN2DHODH
SCHEMBL10758845 0.82 PDE10A (0.64) KDM4ELMNAPDE10ASMN1; SMN2DHODH
SCHEMBL8618932 0.81 PTGER4 (0.55) KDM4ELMNAPDE10ASMN1; SMN2DHODH
SCHEMBL20809336 0.81 ALDH1A1 (0.51) KDM4ELMNAPDE10ASMN1; SMN2ALDH1A1
SCHEMBL16832647 0.80 ALOX15 (0.45) KDM4ELMNADHODHHSD17B10ALDH1A1
SCHEMBL18698087 0.80 TOP1 (0.50) KDM4ELMNASMN1; SMN2ALDH1A1PTGER4
SCHEMBL6429299 0.79 KDM4E (0.80) KDM4ELMNAPDE10ASMN1; SMN2DHODH
Cinchophen SCHEMBL7588217 0.78 KDM4E (1.00) KDM4ELMNAPDE10ASMN1; SMN2DHODH
Cinchophen SCHEMBL25519 0.78 KDM4E (1.00) KDM4ELMNAPDE10ASMN1; SMN2DHODH
Cinchophen SCHEMBL29376617 0.78 KDM4E (1.00) KDM4ELMNAPDE10ASMN1; SMN2DHODH

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 17 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-1092642-C Use as tachykinin NK3Quinoline derivatives of receptor antagonists SMITHKLINE BEECHAM FARMA (IT) 2002-10-16 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 1779/4885LMNA 4249/4885PDE10A 1648/4885
US-20060160846-A1 Quinoline derivatives CHRNA3, CHRNB3, KCNQ3 KDM4E 3752/4885LMNA 1908/4885PDE10A 3085/4885
US-20030236281-A1 Quinoline derivatives(2) KCNQ3, CHRNA3, KCNK3 KDM4E 3770/4885LMNA 2151/4885PDE10A 3540/4885
US-20050096316-A1 Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders TACR3, CHRNB3, CHRNA3 KDM4E 4500/4885LMNA 1795/4885PDE10A 3089/4885

“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.