SCHEMBL13061928

SCHEMBL13061928

O=C(O)c1ccc2c3ccccc3n(C3CCCCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 3/20 0.48
HCAR3 P49019 3/20 0.47
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.43
OGFRL1 Q5TC84 2/20 0.42
PARP1 P09874 1/20 0.42
KMO O15229 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CREBBP Q92793 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL4726848 0.92 KDM4E (0.58) L3MBTL1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL13011278 0.88 KDM4E (0.45) L3MBTL1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL13011412 0.88 KDM4E (0.47) L3MBTL1ALDH1A1KDM4EHCAR3HPGD
SCHEMBL13011348 0.88 KDM4E (0.47) L3MBTL1ALDH1A1KDM4EHCAR3HPGD
SCHEMBL13061916 0.86 KDM4E (0.46) L3MBTL1ALDH1A1KDM4EHCAR3HPGD
SCHEMBL13011265 0.86 KDM4E (0.46) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL13011376 0.86 KDM4E (0.46) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3782244 0.86 NPY5R (0.48) L3MBTL1ALDH1A1KDM4EHPGDPARP1
SCHEMBL13011425 0.86 KDM4E (0.46) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4371739 0.86 KDM4E (0.46) L3MBTL1ALDH1A1MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E L3MBTL1 3620/4885ALDH1A1 2104/4885MEN1 4310/4885

“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.