SCHEMBL1125003

SCHEMBL1125003

CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.64
USP2 O75604 1/20 0.64
MAPK1 P28482 1/20 0.64
RECQL P46063 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MAPT P10636 2/20 0.60
NR1H2 P55055 2/20 0.56
NR1H3 Q13133 2/20 0.56
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL1124642 0.86 KMT2A (0.65) TP53USP2MAPK1RECQLHSD17B10
SCHEMBL442163 0.86 KMT2A (0.65) TP53USP2MAPK1RECQLHSD17B10
SCHEMBL4152079 0.85 MAPT (0.52) TP53USP2MAPK1RECQLHSD17B10
SCHEMBL6200113 0.84 CCR6 (0.54) TP53USP2MAPK1RECQLHSD17B10
SCHEMBL11249360 0.84 MAPT (0.57) TP53MAPK1HSD17B10MAPTKDM4E
SCHEMBL1124253 0.83 NR1H2 (0.68) TP53USP2MAPK1RECQLHSD17B10
SCHEMBL8780458 0.83 USP2 (0.47) TP53USP2MAPK1RECQLHSD17B10
SCHEMBL7069485 0.83 TP53 (0.59) TP53USP2MAPK1RECQLHSD17B10
SCHEMBL9814048 0.83 KMT2A (0.51) TP53HSD17B10MAPTKDM4EKMT2A
SCHEMBL1124932 0.82 NR1H2 (0.68) TP53USP2MAPK1RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US disclosed
US-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 US disclosed
EP-1266888-A1 QUINOLINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-12-18 EP disclosed
US-4343804-A 4-Amino-3-quinolinecarboxylic acids and esters-antisecretory anti-ulcer compounds A. H. ROBINS COMPANY, INC. (US) 1982-08-10 US disclosed
US-4277607-A Process for the preparation of 4-chloroquinolines ROUSSEL UCLAF (FR) 1981-07-07 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 (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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA TP53 571/4885USP2 2191/4885MAPK1 1212/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 TP53 4850/4885USP2 2597/4885MAPK1 1719/4885

“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.