SCHEMBL2797465

SCHEMBL2797465

CNC(=O)c1cc(=O)n(CCN2CCC(NCC=Cc3ccccc3)CC2)c2cc(OC)ccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.49
KCNH2 Q12809 4/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
MAOB P27338 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL2797462 1.00 MCHR1 (0.49) MCHR1KCNH2HTR2AHTR2CHTR2B
SCHEMBL2798734 0.88 KCNH2 (0.45) MCHR1KCNH2MEN1KMT2AKDM4E
SCHEMBL2798736 0.88 KCNH2 (0.45) MCHR1KCNH2MEN1KMT2AKDM4E
SCHEMBL2798849 0.88 KCNH2 (0.46) MCHR1KCNH2CNR1CNR2
SCHEMBL2798846 0.88 KCNH2 (0.46) MCHR1KCNH2CNR1CNR2
SCHEMBL2799489 0.87 KCNH2 (0.44) MCHR1KCNH2MAOBCNR1CNR2
SCHEMBL2799491 0.87 KCNH2 (0.44) MCHR1KCNH2MAOBCNR1CNR2
SCHEMBL13235668 0.84 KCNH2 (0.46) KCNH2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL2794273 0.84 GRIN2B (0.46) KCNH2GAAALDH1A1MAOBCNR1
SCHEMBL5040389 0.84 KCNH2 (0.49) MCHR1KCNH2MAOBCNR1CNR2

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 MCHR1 2848/4885KCNH2 578/4885HTR2A 4495/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 MCHR1 4487/4885KCNH2 525/4885HTR2A 4099/4885

“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.