SCHEMBL2798933

SCHEMBL2798933

COc1ccc2c(C(=O)NCc3cccnc3)cc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)O)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.47
UBE2M P61081 3/20 0.44
DCUN1D1 Q96GG9 3/20 0.44
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
OPRM1 P35372 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR3 Q99500 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2797100 0.92 UBE2M (0.43) KCNH2UBE2MDCUN1D1HPGDSMN1; SMN2
SCHEMBL13264481 0.92 KCNH2 (0.46) KCNH2UBE2MDCUN1D1HPGDSMN1; SMN2
SCHEMBL12002132 0.90 KCNH2 (0.56) KCNH2HPGDALDH1A1
SCHEMBL5044554 0.89 KCNH2 (0.47) KCNH2UBE2MDCUN1D1MEN1KMT2A
SCHEMBL5042261 0.89 KCNH2 (0.48) KCNH2UBE2MDCUN1D1LMNAOPRM1
SCHEMBL2798220 0.88 KCNH2 (0.46) KCNH2UBE2MDCUN1D1SMN1; SMN2MAPT
SCHEMBL5040315 0.88 KCNH2 (0.46) KCNH2UBE2MDCUN1D1SMN1; SMN2MAPT
SCHEMBL5046804 0.86 KCNH2 (0.46) KCNH2UBE2MDCUN1D1LMNATP53
SCHEMBL5040949 0.86 KCNH2 (0.49) KCNH2LMNA
SCHEMBL12000095 0.85 UBE2M (0.44) KCNH2UBE2MDCUN1D1HPGDSMN1; SMN2

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 6 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-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
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
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 KCNH2 578/4885UBE2M 2433/4885DCUN1D1 1317/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885UBE2M 826/4885DCUN1D1 1635/4885

“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.