SCHEMBL2797754

SCHEMBL2797754

Cc1cc(=O)[nH]c2cc(Cl)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
LMNA P02545 2/20 0.73
KDM4E B2RXH2 3/20 0.62
GLA P06280 2/20 0.62
GAA P10253 2/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
TNKS2 Q9H2K2 8/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
PARP1 P09874 1/20 0.55
MAPT P10636 1/20 0.54
TNKS O95271 1/20 0.50
CHEK1 O14757 1/20 0.49
CA9 Q16790 1/20 0.49
MAT2A P31153 1/20 0.49

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
SCHEMBL3151814 0.85 LMNA (1.00) TP53SMN1; SMN2LMNAKDM4EGLA
SCHEMBL2796184 0.82 TP53 (0.70) TP53SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL29410772 0.82 TP53 (0.70) TP53SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL2795205 0.80 KDM4E (0.67) TP53SMN1; SMN2LMNAKDM4EGLA
SCHEMBL29340202 0.79 TP53 (0.66) TP53SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL8127333 0.79 TP53 (0.66) TP53SMN1; SMN2LMNAKDM4EGLA
SCHEMBL29483390 0.79 TP53 (0.66) TP53SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL8872926 0.78 TP53 (0.65) TP53SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL5025970 0.77 TP53 (0.61) TP53SMN1; SMN2LMNAKDM4EGLA
SCHEMBL8064223 0.77 KDM4E (0.62) TP53SMN1; SMN2LMNAKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
US-5510338-A ADMINISTERING TO A MAMMAL TO RELIEVE PAIN AND TO TREAT CONVULSIONS, CEREBRAL ISCHEMIC DAMAGE, AND EMESIS GUILFORD PHARMACEUTICALS INC. (US) 1996-04-23 US disclosed
US-5342946-A Phosphonoalkylquinolin-2-ones as novel antagonists of non-NMDA ionotropic excitatory amino acid receptors GUILFORD PHARMACEUTICALS INC. (US) 1994-08-30 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 TP53 4214/4885SMN1; SMN2 1206/4885LMNA 4185/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 TP53 3711/4885SMN1; SMN2 4152/4885LMNA 2947/4885

“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.