Quinoline

Quinoline

SCHEMBL4623672

CC(C)(C)OC(=O)O.c1ccc2ncccc2c1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 3/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
PABPC1 P11940 1/20 0.41
PLK1 P53350 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NAMPT P43490 1/20 0.39

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
Quinoline SCHEMBL27627058 0.86 ALDH1A1 (0.53) ALDH1A1MEN1NPC1KMT2AGAA
Quinoline SCHEMBL28125029 0.83 ALDH1A1 (0.63) ALDH1A1MEN1NPC1KMT2ARAB9A
Quinoline SCHEMBL27303537 0.81 ALDH1A1 (0.71) ALDH1A1MEN1NPC1KMT2ARAB9A
Quinoline SCHEMBL1783847 0.81 ALDH1A1 (0.71) ALDH1A1MEN1NPC1KMT2ARAB9A
Naphthalene SCHEMBL16005359 0.80 ALDH1A1 (0.44) ALDH1A1MEN1NPC1KMT2AGAA
Quinoline SCHEMBL372690 0.80 ALDH1A1 (0.77) ALDH1A1MEN1NPC1KMT2ARAB9A
Quinoline SCHEMBL5874493 0.80 ALDH1A1 (0.77) ALDH1A1MEN1NPC1KMT2ARAB9A
Quinoline SCHEMBL5283313 0.80 ALDH1A1 (0.77) ALDH1A1MEN1NPC1KMT2ARAB9A
Quinoline SCHEMBL28160669 0.80 ALDH1A1 (0.63) ALDH1A1MEN1NPC1KMT2ARAB9A
Quinoline SCHEMBL28752073 0.79 ALDH1A1 (0.68) ALDH1A1MEN1NPC1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345954-B1 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2008-06-04 EP claimed
EP-1345954-A2 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2003-09-24 EP claimed
US-6455680-B1 PROTECTING A KETONE OF A KETONE-CONTAINING ERYTHROMYCIN DERIVATIVE AS AN ARYL THIOIMINE (AR-S-N=) BY REACTING THE KETONE WITH A HYDROXYLAMINE TO FORM AN OXIME, AND THEN REACTING WITH A TRIALKYL PHOSPHINE AND AN ARYL DISULFIDE ABBOTT LABORATORIES 2002-09-24 US claimed
US-20020115835-A1 Methods utilizing aryl thioimines in synthesis of erythromycin derivatives ABBVIE INC. 2002-08-22 US claimed
WO-2002050093-A2 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 2002-06-27 WO claimed
EP-1345954-B1 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2008-06-04 EP disclosed
EP-1345954-A2 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2003-09-24 EP disclosed
US-6455680-B1 PROTECTING A KETONE OF A KETONE-CONTAINING ERYTHROMYCIN DERIVATIVE AS AN ARYL THIOIMINE (AR-S-N=) BY REACTING THE KETONE WITH A HYDROXYLAMINE TO FORM AN OXIME, AND THEN REACTING WITH A TRIALKYL PHOSPHINE AND AN ARYL DISULFIDE ABBOTT LABORATORIES 2002-09-24 US disclosed
US-20020115835-A1 Methods utilizing aryl thioimines in synthesis of erythromycin derivatives ABBVIE INC. 2002-08-22 US disclosed
WO-2002050093-A2 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 2002-06-27 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 (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-20020115835-A1 Methods utilizing aryl thioimines in synthesis of erythromycin derivatives CYP2C9, CYP2B6, POR ALDH1A1 1376/4885MEN1 4691/4885NPC1 1465/4885

“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.