SCHEMBL2797388

SCHEMBL2797388

[O-][n+]1ccc(Cl)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
PDE2A O00408 2/20 0.36
KIF11 P52732 4/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TNKS O95271 1/20 0.32
CYP8B1 Q9UNU6 1/20 0.32

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
SCHEMBL30489827 1.00 L3MBTL1 (0.38) L3MBTL1PDE2AKIF11HSD17B10ALDH1A1
SCHEMBL31312323 0.80 KIF11 (0.35) L3MBTL1KIF11HSD17B10MAPTATM
SCHEMBL9796484 0.80 MEN1 (0.36) L3MBTL1KIF11MAPTATM
SCHEMBL8754421 0.80 PDE2A (0.39) L3MBTL1PDE2AKIF11HSD17B10ALDH1A1
SCHEMBL11566523 0.80 KIF11 (0.39) L3MBTL1KIF11HSD17B10ALDH1A1MAPT
SCHEMBL2799236 0.78 L3MBTL1 (0.40) L3MBTL1KIF11MAPTATM
SCHEMBL29410754 0.77 CSNK2A2 (0.36) HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9796224 0.76 KIF11 (0.38) KIF11
SCHEMBL6339412 0.76 PDE2A (0.36) L3MBTL1PDE2AKIF11HSD17B10ALDH1A1
SCHEMBL8722519 0.76 ACHE (0.39) L3MBTL1PDE2AKIF11HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116406271-A Bicyclic compounds 江苏先声药业有限公司 2023-07-07 CN disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
US-4997840-A Quinolone sulphonates having antihypertensive activity THE BOOTS COMPANY, PLC (GB) 1991-03-05 US disclosed
EP-0330340-A1 Therapeutic agents The Boots Company PLC (GB) 1989-08-30 EP disclosed
WO-1989007593-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1989-08-24 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 (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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 L3MBTL1 357/4885PDE2A 4173/4885KIF11 3704/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 L3MBTL1 4408/4885PDE2A 2901/4885KIF11 4264/4885

“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.