SCHEMBL12002113

SCHEMBL12002113

COc1ccc2c(C)cc(=O)n(CCCC3(C=O)CCNCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
DYRK1A Q13627 7/20 0.36
CCNE2 O96020 2/20 0.35
CDK4 P11802 2/20 0.35
PRKACA P17612 2/20 0.35
PRKACG P22612 2/20 0.35
PRKACB P22694 2/20 0.35
CCND1 P24385 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35

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
SCHEMBL12002174 0.88 KCNH2 (0.41) KCNH2ALDH1A1TSHRPOLBHPGD
SCHEMBL12002171 0.88 KCNH2 (0.40) KCNH2ALDH1A1TSHRPOLBHPGD
SCHEMBL10285202 0.85 KMT2A (0.38) KCNH2CCNE2CDK4PRKACAPRKACG
SCHEMBL10285859 0.83 HTR1A (0.46) KCNH2
SCHEMBL2797996 0.82 POLB (0.38) KCNH2ALDH1A1POLBKDM4EMAPK1
SCHEMBL13234473 0.80 KCNH2 (0.39) KCNH2ALDH1A1TSHRPOLBHPGD
SCHEMBL2794300 0.80 KCNH2 (0.39) KCNH2ALDH1A1TSHRPOLBHPGD
SCHEMBL10285870 0.79 KCNH2 (0.40) KCNH2TSHRPOLBHPGDLMNA
SCHEMBL2799380 0.78 KCNH2 (0.53) KCNH2ALDH1A1TSHRPOLBHPGD
SCHEMBL13264429 0.78 KCNH2 (0.42) KCNH2ALDH1A1TSHRPOLBHPGD

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 3 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 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 (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 578/4885ALDH1A1 2925/4885TSHR 1204/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885ALDH1A1 3142/4885TSHR 4692/4885

“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.