SCHEMBL4429818

SCHEMBL4429818

O=c1[nH]c2ccccc2cc1-c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.58
CHEK1 O14757 1/20 0.58
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
CASP1 P29466 1/20 0.54
RAB9A P51151 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CDK5 Q00535 10/20 0.53
CDK5R1 Q15078 10/20 0.53
PDGFRB P09619 1/20 0.51
FGFR1 P11362 1/20 0.51
MAOB P27338 1/20 0.51
BRD4 O60885 1/20 0.49
DAO P14920 1/20 0.49
DDO Q99489 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL5466202 0.82 CDK5 (0.72) KDRCHEK1NPC1LMNAGLA
SCHEMBL12559604 0.82 MAOA (0.52) NPC1LMNAGLACASP1RAB9A
SCHEMBL5469347 0.78 CDK5 (0.65) KDRCHEK1NPC1LMNAGLA
SCHEMBL30048517 0.76 MAPT (0.66) KDRCHEK1NPC1LMNAGLA
SCHEMBL2546875 0.76 MAPT (0.66) KDRCHEK1NPC1LMNAGLA
SCHEMBL5076094 0.74 KDR (1.00) KDRCHEK1NPC1RAB9ACDK5
SCHEMBL29712353 0.74 KDR (0.68) KDRCHEK1NPC1RAB9AHSD17B10
SCHEMBL2008746 0.74 KDR (0.68) KDRCHEK1NPC1RAB9AHSD17B10
SCHEMBL29370693 0.74 KDR (1.00) KDRCHEK1NPC1RAB9ACDK5
SCHEMBL3963947 0.72 CDK5 (0.68) KDRCHEK1HSD17B10CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111910208-B Electrochemical synthesis method of 3-thiophenyl quinolinone 怀化学院 2021-07-20 CN claimed
CN-111910208-A Electrochemical synthesis method of 3-thiophenyl quinolinone 怀化学院 2020-11-10 CN claimed
CN-111763199-B 2-thienyl quinolinone derivative and preparation method and application thereof 西华大学 2021-08-31 CN disclosed
CN-111910208-B Electrochemical synthesis method of 3-thiophenyl quinolinone 怀化学院 2021-07-20 CN disclosed
CN-111910208-B Electrochemical synthesis method of 3-thiophenyl quinolinone 怀化学院 2021-07-20 CN disclosed
CN-111910208-A Electrochemical synthesis method of 3-thiophenyl quinolinone 怀化学院 2020-11-10 CN disclosed
CN-111910208-A Electrochemical synthesis method of 3-thiophenyl quinolinone 怀化学院 2020-11-10 CN disclosed
CN-111763199-A 2-thienyl quinolinone derivative and preparation method and application thereof 西华大学 2020-10-13 CN disclosed
US-8232402-B2 Quinolinone farnesyl transferase inhibitors for the treatment of synucleinopathies and other indications LINK MEDICINE CORPORATION (US) 2012-07-31 US disclosed
WO-2009151683-A2 QUINOLINONE FARNESYL TRANSFERASE INHIBITORS FOR THE TREATMENT OF SYNUCLEINOPATHIES AND OTHER INDICATIONS LINK MEDICINE CORPORATION (US) 2009-12-17 WO disclosed
US-20090253655-A1 QUINOLINONE FARNESYL TRANSFERASE INHIBITORS FOR THE TREATMENT OF SYNUCLEINOPATHIES AND OTHER INDICATIONS ASTRAZENECA AB (SE) 2009-10-08 US 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-20090253655-A1 QUINOLINONE FARNESYL TRANSFERASE INHIBITORS FOR THE TREATMENT OF SYNUCLEINOPATHIES AND OTHER INDICATIONS PANK1, PANK3, PANK2 KDR 4759/4885CHEK1 221/4885NPC1 361/4885

“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.