Sugi Predict

Sugi Predict / Compounds / SCHEMBL3912410

SCHEMBL3912410

SCHEMBL3912410

O=C(O)c1cc2ccccc2nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ DHODH Q02127 4/20 0.50
▸ IKBKB O14920 1/20 0.49
▸ MGAM O43451 2/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL8807038 0.91 SMN1; SMN2 (0.56) PDE10ASMN1; SMN2TSHRKDM4ENPC1
SCHEMBL529972 0.90 MEN1 (0.57) PDE10ASMN1; SMN2TSHRNPC1RAB9A
SCHEMBL5458072 0.90 DHODH (0.54) PDE10ASMN1; SMN2TSHRKDM4ENPC1
SCHEMBL27720177 0.89 PDE10A (0.56) PDE10ASMN1; SMN2TSHRKDM4ENPC1
SCHEMBL30499579 0.86 IKBKB (0.63) PDE10ASMN1; SMN2TSHRKDM4ENPC1
SCHEMBL327089 0.86 IKBKB (0.63) PDE10ASMN1; SMN2TSHRKDM4ENPC1
SCHEMBL1902570 0.83 LMNA (0.47) PDE10ASMN1; SMN2TSHRKDM4ENPC1
SCHEMBL1339563 0.82 DHODH (0.52) PDE10ASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL27992695 0.82 PDE10A (0.53) PDE10ASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL8521039 0.81 NPC1 (0.63) PDE10ASMN1; SMN2TSHRKDM4ENPC1

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-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2023-06-15 — — US disclosed
CN-107721919-A Phenylchinoline class TRPV1 antagonists and its preparation method and application 中国药科大学 2018-02-23 — — CN disclosed
EP-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 — — EP 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 (2 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 PDE10A 2303/4885SMN1; SMN2 1841/4885TSHR 735/4885
US-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF FABP4, FABP1, FABP3 PDE10A 3417/4885SMN1; SMN2 3637/4885TSHR 1995/4885

“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.