SCHEMBL2797198

SCHEMBL2797198

COc1ccc2ccc(=O)n(CCCC3(C(=O)O)CCN(C/C=C/c4ccccc4)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 5/20 0.43
USP2 O75604 2/20 0.43
MCHR1 Q99705 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL2797204 1.00 KDM4E (0.50) KDM4ENPSR1MAPK1MEN1KMT2A
SCHEMBL2795915 0.91 KDM4E (0.61) KDM4ENPSR1MAPK1MEN1KMT2A
SCHEMBL2795909 0.91 KDM4E (0.61) KDM4ENPSR1MAPK1MEN1KMT2A
SCHEMBL13264610 0.89 GAA (0.45) KDM4ENPSR1MAPK1MEN1KMT2A
SCHEMBL12000140 0.89 USP2 (0.44) KDM4ENPSR1MAPK1MEN1KMT2A
SCHEMBL10285212 0.88 GAA (0.44) KDM4ENPSR1MAPK1MEN1KMT2A
SCHEMBL10285879 0.88 MEN1 (0.38) KDM4ENPSR1MAPK1MEN1KMT2A
SCHEMBL2800144 0.84 POLB (0.46) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL2798009 0.84 SIGMAR1 (0.46) KDM4EMEN1KMT2AALDH1A1
SCHEMBL2798102 0.82 POLB (0.38) KDM4EMEN1KMT2AALDH1A1TDP1

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 10 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

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 KDM4E 2360/4885NPSR1 1224/4885MAPK1 4/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KDM4E 2555/4885NPSR1 3115/4885MAPK1 569/4885

“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.