SCHEMBL1124058

SCHEMBL1124058

Nc1c(C(=O)c2ccccc2)cccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
LMNA P02545 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C3 P42330 1/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
PTGS1 P23219 1/20 0.44
PBRM1 Q86U86 1/20 0.43

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
SCHEMBL35010 0.84 HSD17B1 (0.48) KCNK3KCNK9ALDH1A1PTGS1
SCHEMBL3507106 0.84 MAPT (0.50) MAPTGAAKCNK3KCNK9LMNA
SCHEMBL3717986 0.84 GAA (0.56) MAPTGAANR1H2NR1H3KCNK3
SCHEMBL31369140 0.84 GAA (0.56) MAPTGAANR1H2NR1H3KCNK3
SCHEMBL15608407 0.83 POLB (0.54) MAPTKCNK3KCNK9HSD17B10MEN1
SCHEMBL158167 0.82 G6PD (0.55) MAPTGAAKCNK3KCNK9LMNA
SCHEMBL1125117 0.81 KAT6A (0.52) MAPTGAANR1H2NR1H3KCNK3
SCHEMBL2910045 0.81 NR1H2 (0.50) MAPTGAANR1H2NR1H3KCNK3
SCHEMBL29941229 0.81 KAT6A (0.52) MAPTGAANR1H2NR1H3KCNK3
Hydrochloric Acid SCHEMBL11631331 0.81 G6PD (0.53) MAPTGAAKCNK3KCNK9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897947-B1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-METERS SQUIBB COMPANY (US) 2015-08-27 US disclosed
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-METERS SQUIBB COMPANY (US) 2015-08-27 US disclosed
WO-2014047374-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7700595-B2 such as 3-benzyl-4-phenyl-8-(trifluoromethyl)cinnoline; modulators of Liver X receptors (LXRs) WYETH LLC (US) 2010-04-20 US disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
CN-100418955-C Novel Benzo-fused heterocycles ACTELION PHARMOUEUTICALS LTD (CH) 2008-09-17 CN disclosed
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN disclosed
EP-1853566-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS Wyeth (US) 2007-11-14 EP disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
US-20060252757-A1 Cinnoline compounds WYETH 2006-11-09 US disclosed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 WO 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
CN-1538848-A Novel Benzo-fused heterocycles ������˹ҩƷ��˾ 2004-10-20 CN disclosed
US-3941803-A 2-(Imidazol-1-yl)benzophenones THE UPJOHN COMPANY (US) 1976-03-02 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 (3 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-20060252757-A1 Cinnoline compounds NR1H3, NR1H2, CNR1 MAPT 4016/4885GAA 2674/4885NR1H2 2/4885
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 MAPT 4661/4885GAA 4151/4885NR1H2 9/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 MAPT 4520/4885GAA 1501/4885NR1H2 1/4885

“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.