SCHEMBL4189945

SCHEMBL4189945

COc1ccc2c(C(=O)O)cc(-c3ccccc3)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 5/20 0.74
KDM4E B2RXH2 6/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
ALDH1A1 P00352 3/20 0.73
LMNA P02545 3/20 0.73
NPC1 O15118 2/20 0.73
HPGD P15428 2/20 0.73
RAB9A P51151 2/20 0.73
MAPT P10636 2/20 0.73
NFKB1 P19838 1/20 0.73
NFKB2 Q00653 1/20 0.73
RELA Q04206 1/20 0.73
ATM Q13315 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
PLA2G2A P14555 2/20 0.67
PDE10A Q9Y233 2/20 0.67
CYP3A4 P08684 1/20 0.65
MEN1 O00255 1/20 0.64
POLB P06746 1/20 0.64
KMT2A Q03164 1/20 0.64

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
Hydrochloric Acid SCHEMBL4469164 0.99 TACR3 (0.72) TACR3KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL245078 0.90 PLA2G2A (0.81) TACR3KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL4184333 0.90 TACR3 (0.71) TACR3KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL29864792 0.90 TACR3 (0.71) TACR3KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL116026 0.89 KDM4E (0.85) KDM4ESMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL28844474 0.87 TACR3 (0.79) TACR3KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL28844472 0.86 TACR3 (0.77) TACR3KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL1897330 0.85 KDM4E (0.79) KDM4ESMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL5529440 0.85 MAPT (0.64) TACR3KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL6451537 0.85 TACR3 (1.00) TACR3NPC1RAB9APLA2G2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186086-A Benzopyridine compound and preparation method and application thereof 中山大学 2023-12-08 CN disclosed
CN-110105279-B Quinoline STAT3 specific inhibitor and preparation method and application thereof 中山大学 2022-09-16 CN disclosed
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
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-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-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
EP-0804419-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SmithKline Beecham Farmaceutici S.p.A. (IT) 1997-11-05 EP disclosed
WO-1997019927-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 WO disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed
WO-1996002509-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1996-02-01 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 (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-20060160846-A1 Quinoline derivatives CHRNA3, CHRNB3, KCNQ3 TACR3 51/4885KDM4E 3752/4885SMN1; SMN2 758/4885
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 TACR3 4347/4885KDM4E 3639/4885SMN1; SMN2 2677/4885
US-20050096316-A1 Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders TACR3, CHRNB3, CHRNA3 TACR3 1/4885KDM4E 4500/4885SMN1; SMN2 304/4885

“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.