SCHEMBL6070890

SCHEMBL6070890

O=C(CC(c1ccc2ccccc2n1)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CFTR P13569 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
REN P00797 1/20 0.37
RAB9A P51151 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL6071535 0.83 SMN1; SMN2 (0.43) L3MBTL1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5974672 0.66 ALDH1A1 (0.56) L3MBTL1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5720996 0.65 KDM4E (0.46) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL5721000 0.65 KDM4E (0.46) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL10909874 0.64 TACR1 (0.52) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1128948 0.64 NPC1 (0.64) MEN1KMT2AKDM4EHDAC1NPC1
SCHEMBL7774729 0.64 MGAM (0.52) KMT2ASMN1; SMN2KDM4ENPC1ALDH1A1
Anthracene SCHEMBL10417449 0.63 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL5116887 0.63 ALDH1A1 (0.45) L3MBTL1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL3673078 0.63 KDM4E (0.55) KMT2ASMN1; SMN2KDM4ENPC1ALDH1A1

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-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 L3MBTL1 4258/4885MEN1 741/4885KMT2A 1196/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 L3MBTL1 3962/4885MEN1 844/4885KMT2A 1592/4885

“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.