SCHEMBL10285202

SCHEMBL10285202

COc1ccc2ccc(=O)n(CCCC3(C=O)CCNCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MTNR1A P48039 4/20 0.37
MTNR1B P49286 4/20 0.37
PDE5A O76074 1/20 0.37
KCNH2 Q12809 1/20 0.37
CCNE2 O96020 5/20 0.35
CDK4 P11802 5/20 0.35
CCND1 P24385 5/20 0.35
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
PRKACA P17612 3/20 0.35
PRKACG P22612 3/20 0.35
PRKACB P22694 3/20 0.35
PIK3CA P42336 1/20 0.35
PRKDC P78527 1/20 0.35
GRM2 Q14416 1/20 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
SCHEMBL13264345 0.87 KCNH2 (0.39) KMT2AMAPTSMN1; SMN2NPSR1RXFP1
SCHEMBL12002159 0.87 KMT2A (0.39) KMT2AMAPTSMN1; SMN2NPSR1RXFP1
SCHEMBL10285859 0.85 HTR1A (0.46) KCNH2HTR2AHTR1A
SCHEMBL12002113 0.85 KCNH2 (0.39) PDE5AKCNH2CCNE2CDK4CCND1
SCHEMBL2794583 0.80 POLB (0.41) KMT2AMAPTMTNR1AMTNR1B
SCHEMBL13264451 0.80 SIGMAR1 (0.46) KMT2AMAPT
SCHEMBL13264611 0.80 ALDH1A1 (0.43) KMT2AKCNH2
SCHEMBL10285227 0.80 PIK3CA (0.42) KMT2ANPSR1MTNR1AMTNR1BPIK3CA
SCHEMBL10285212 0.79 GAA (0.44) KMT2ASMN1; SMN2NPSR1
SCHEMBL12002165 0.79 KMT2A (0.38) KMT2APDE5AKCNH2CCNE2CDK4

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 4 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
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 (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 KMT2A 1173/4885MAPT 4858/4885SMN1; SMN2 1206/4885

“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.