SCHEMBL13264455

SCHEMBL13264455

BN(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)cc(C)c3ccc(O)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.45
LMNA P02545 5/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 2/20 0.35
MCHR1 Q99705 1/20 0.34
UBE2M P61081 5/20 0.34
DCUN1D1 Q96GG9 5/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
CNR2 P34972 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL12002225 0.92 KCNH2 (0.46) KCNH2LMNATP53THRBMCHR1
SCHEMBL12002156 0.91 KCNH2 (0.45) KCNH2LMNATP53THRBMCHR1
SCHEMBL13264454 0.90 KCNH2 (0.45) KCNH2LMNATP53THRBMCHR1
SCHEMBL12002222 0.90 KCNH2 (0.45) KCNH2LMNATHRBMCHR1KMT2A
SCHEMBL13264482 0.90 KCNH2 (0.45) KCNH2LMNATP53THRBMCHR1
SCHEMBL12002158 0.89 KCNH2 (0.43) KCNH2LMNATP53THRBMCHR1
SCHEMBL12002139 0.89 KCNH2 (0.59) KCNH2MCHR1HTR1ASLC6A4CNR2
SCHEMBL12002150 0.88 KCNH2 (0.44) KCNH2LMNATP53THRBMCHR1
SCHEMBL12002144 0.88 KCNH2 (0.44) KCNH2LMNATP53THRBMCHR1
SCHEMBL12002095 0.87 KCNH2 (0.52) KCNH2LMNATP53THRBMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 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 (1 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 578/4885LMNA 4185/4885TP53 4214/4885

“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.