SCHEMBL12002159

SCHEMBL12002159

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
PDE5A O76074 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CCNE2 O96020 3/20 0.36
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
PRKACA P17612 2/20 0.36
PRKACG P22612 2/20 0.36
PRKACB P22694 2/20 0.36

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
SCHEMBL10285202 0.87 KMT2A (0.38) KMT2AMAPTSMN1; SMN2NPSR1RXFP1
SCHEMBL12002171 0.84 KCNH2 (0.40) KCNH2
SCHEMBL2794583 0.82 POLB (0.41) KMT2AMAPTMTNR1AMTNR1B
SCHEMBL13952670 0.79 CDK4 (0.32) PDE5ACCNE2CDK4CCND1CCNE1
SCHEMBL13264610 0.77 GAA (0.45) KMT2ASMN1; SMN2NPSR1
SCHEMBL13264345 0.76 KCNH2 (0.39) KMT2AMAPTSMN1; SMN2NPSR1RXFP1
SCHEMBL12002221 0.76 KCNH2 (0.46) KMT2AMAPTRXFP1KCNH2
SCHEMBL12002179 0.74 SIGMAR1 (0.36) KMT2AMAPTSMN1; SMN2NPSR1MTNR1A
SCHEMBL1723251 0.74 KMT2A (0.40) KMT2AMAPTSMN1; SMN2NPSR1RXFP1
SCHEMBL12002226 0.74 KCNH2 (0.60) KCNH2

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 KMT2A 1173/4885MAPT 4858/4885SMN1; SMN2 1206/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KMT2A 2354/4885MAPT 3361/4885SMN1; SMN2 4152/4885

“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.