Quinoline

Quinoline

SCHEMBL2255683

NC(=O)N=S(=O)=O.c1ccc2ncccc2c1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
NPC1 O15118 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
PARP1 P09874 2/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CASP1 P29466 2/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 2/20 0.40
CASP7 P55210 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
ATM Q13315 1/20 0.40
PABPC1 P11940 1/20 0.39
HDAC1 Q13547 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 SCHEMBL5272119 0.84 ALDH1A1 (0.74) ALDH1A1NPC1KDM4EMEN1MAPT
Quinoline SCHEMBL2201840 0.84 ALDH1A1 (0.74) ALDH1A1NPC1KDM4EMEN1MAPT
Quinoline SCHEMBL1287895 0.84 ALDH1A1 (0.74) ALDH1A1NPC1KDM4EMEN1MAPT
Quinoline SCHEMBL27782946 0.82 ALDH1A1 (0.71) ALDH1A1NPC1KDM4EMEN1MAPT
Quinoline SCHEMBL28169251 0.80 ALDH1A1 (0.68) ALDH1A1NPC1KDM4EMEN1MAPT
Quinoline SCHEMBL28043625 0.80 ALDH1A1 (0.74) ALDH1A1NPC1KDM4EMEN1MAPT
Quinoline SCHEMBL28043624 0.80 ALDH1A1 (0.74) ALDH1A1NPC1KDM4EMEN1MAPT
Quinoline SCHEMBL8318250 0.80 ALDH1A1 (0.81) ALDH1A1NPC1KDM4EMEN1MAPT
Quinoline SCHEMBL28169361 0.79 ALDH1A1 (0.65) ALDH1A1NPC1KDM4EMEN1MAPT
Quinoline SCHEMBL27864428 0.78 ALDH1A1 (0.71) ALDH1A1NPC1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125724-B1 NAPHTHALENE AND QUINOLINE SULFONYLUREA DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2014-12-03 EP disclosed
CN-101636385-B Naphthalene and quinoline sulfonylurea derivatives as EP4 receptor antagonists MERCK FROSST CANADA LTD 2012-09-05 CN disclosed
CN-101636385-B Naphthalene and quinoline sulfonylurea derivatives as EP4 receptor antagonists MERCK FROSST CANADA LTD 2012-09-05 CN disclosed
CN-101636385-B Naphthalene and quinoline sulfonylurea derivatives as EP4 receptor antagonists MERCK FROSST CANADA LTD 2012-09-05 CN disclosed
US-8003661-B2 Naphthalene and quinoline sulfonylurea derivatives as EP4 receptor antagonists MERCK CANADA INC. (CA) 2011-08-23 US disclosed
US-8003661-B2 Naphthalene and quinoline sulfonylurea derivatives as EP4 receptor antagonists MERCK CANADA INC. (CA) 2011-08-23 US disclosed
US-8003661-B2 Naphthalene and quinoline sulfonylurea derivatives as EP4 receptor antagonists MERCK CANADA INC. (CA) 2011-08-23 US disclosed
US-20100105718-A1 NAPHTHALENE AND QUINOLINE SULFONYLUREA DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2010-04-29 US disclosed
US-20100105718-A1 NAPHTHALENE AND QUINOLINE SULFONYLUREA DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2010-04-29 US disclosed
CN-101636385-A Naphthalene and quinoline sulfonylurea derivatives as EP4 receptor antagonists MERCK FROSST CANADA LTD 2010-01-27 CN disclosed
CN-101636385-A Naphthalene and quinoline sulfonylurea derivatives as EP4 receptor antagonists MERCK FROSST CANADA LTD 2010-01-27 CN disclosed
CN-101636385-A Naphthalene and quinoline sulfonylurea derivatives as EP4 receptor antagonists MERCK FROSST CANADA LTD 2010-01-27 CN disclosed
EP-2125724-A1 NAPHTHALENE AND QUINOLINE SULFONYLUREA DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2009-12-02 EP disclosed
EP-2125724-A1 NAPHTHALENE AND QUINOLINE SULFONYLUREA DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2009-12-02 EP disclosed
WO-2008116304-A1 NAPHTHALENE AND QUINOLINE SULFONYLUREA DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2008-10-02 WO disclosed
WO-2008116304-A1 NAPHTHALENE AND QUINOLINE SULFONYLUREA DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2008-10-02 WO disclosed
EP-0711112-A1 HERBICIDE COMPOSITION, ACTIVITY-PROMOTING AGENT FOR IMPROVING THE EFFICACY OF THE HERBICIDE, AND A METHOD FOR TREATING CULTIVATED PLANTS KEMIRA OY (FI) 1996-05-15 EP disclosed
WO-1995003697-A1 HERBICIDE COMPOSITION, ACTIVITY-PROMOTING AGENT FOR IMPROVING THE EFFICACY OF THE HERBICIDE, AND A METHOD FOR TREATING CULTIVATED PLANTS KEMIRA OY (FI) 1995-02-09 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-20100105718-A1 NAPHTHALENE AND QUINOLINE SULFONYLUREA DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, P2RY4, PTGER1 ALDH1A1 1376/4885NPC1 1028/4885KDM4E 1884/4885

“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.