SCHEMBL3912413

SCHEMBL3912413

O=C(O)C1(c2ccccc2)C=Cc2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
GAA P10253 1/20 0.39
AKR1C1 Q04828 1/20 0.33
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
P2RX4 Q99571 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
CACNA1F O60840 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL4928116 0.87 MAPT (0.37) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL1902569 0.84 MAPT (0.47) MAPTGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL31448339 0.77 MAPT (0.43) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL28059865 0.77 MAPT (0.43) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL10471539 0.76 NISCH (0.39) ALDH1A1HPGDLMNACACNA1FSCN1A
SCHEMBL4796337 0.76 MAPT (0.42) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL29896250 0.76 MAPT (0.42) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL1902325 0.75 PTGS2 (0.39) MAPTRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9782872 0.75 MAPT (0.41) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL984966 0.75 MAPT (0.41) MAPTGAARAB9ASMN1; SMN2P2RX4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 EP disclosed
WO-2004031321-A1 OXYGEN SENSING COMPOUNDS, METHODS FOR PRODUCTION THEREOF AND THEIR USES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2004-04-15 WO disclosed
EP-0322926-B2 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2004-03-31 EP disclosed
US-6624175-B2 4-heterocyclic substituted quinoline derivative treats disorderes associated with pathogenic neurokinin-3 receptor, such as anxiety, depression, schizophrenia, obesity, chronic pulmonary obstructive disorder or pain NEUROGEN CORPORATION 2003-09-23 US disclosed
EP-1165542-B1 4-SUBSTITUTED QUINOLINE DERIVATIVES AS NK-3 AND/OR GABA(A) RECEPTOR LIGANDS NEUROGEN CORP (US) 2003-08-20 EP disclosed
US-20020198232-A1 4-substituted quinoline derivatives NEUROGEN CORPORATION (US) 2002-12-26 US disclosed
WO-2000058303-A9 4-SUBSTITUTED QUINOLINE DERIVATIVES AS NK-3 AND/OR GABA(A) RECEPTOR LIGANDS NEUROGEN CORP (US) 2002-12-19 WO disclosed
US-6413982-B1 5-ETHYL-5-PHENYL-2-(3-METHOXY-2-PHENYLQUINOLIN-4-YL)-IMIDAZO -LINE; CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISEASES AND DISORDERS; BINDS WITH HIGH AFFINITY TO NEUROKININ-3 (NK-3) AND/OR GAMMA-AMINOBUTYRIC ACID RECEPTORS; SYNERGISTIC NEUROGEN CORPORATION 2002-07-02 US disclosed
EP-1165542-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES AS NK-3 AND/OR GABA(A) RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-02 EP disclosed
WO-2000058303-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES AS NK-3 AND/OR GABA(A) RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-10-05 WO disclosed
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5284952-A Sulfonyl substituted chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 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 (1 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-20020198232-A1 4-substituted quinoline derivatives GABRA3, GABRB3, GABRR3 MAPT 2766/4885GAA 956/4885AKR1C1 635/4885

“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.