SCHEMBL13061916

SCHEMBL13061916

O=C(O)c1ccc2c3ccccc3n(C3CCNCC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
KHK P50053 3/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PARP1 P09874 2/20 0.41
HTR6 P50406 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
PTGER4 P35408 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
OPRD1 P41143 1/20 0.37
FABP4 P15090 1/20 0.37
CSNK2A1 P68400 1/20 0.37
HCAR3 P49019 1/20 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
SCHEMBL13635124 0.92 KDM2B (0.44) KDM4EKHKALDH1A1HPGDPARP1
SCHEMBL13011465 0.92 KDM2B (0.44) KDM4EKHKALDH1A1HPGDPARP1
SCHEMBL13061928 0.86 L3MBTL1 (0.51) KDM4EALDH1A1HPGDPARP1L3MBTL1
SCHEMBL13011348 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDPARP1L3MBTL1
SCHEMBL13011412 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDPARP1L3MBTL1
SCHEMBL13011096 0.85 KIF11 (0.46) KDM4EKHKALDH1A1PARP1PTGER4
SCHEMBL3782244 0.84 NPY5R (0.48) KDM4EALDH1A1HPGDPARP1L3MBTL1
SCHEMBL4371739 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDPARP1L3MBTL1
SCHEMBL13011265 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDPARP1L3MBTL1
SCHEMBL13011376 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDPARP1L3MBTL1

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-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E KDM4E 731/4885KHK 3357/4885ALDH1A1 2104/4885

“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.