SCHEMBL3764534

SCHEMBL3764534

O=C(Nc1cnccn1)OCC(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 8/20 0.44
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 2/20 0.42
TSHR P16473 1/20 0.42
NOTUM Q6P988 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL14380664 0.80 RAB9A (0.56) KMT2AKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL3766250 0.79 GAA (0.54) KMT2AKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL38661651 0.79 ALDH1A1 (0.33) KMT2APOLB
SCHEMBL3766245 0.78 CHRNB2 (0.41) KDM4ECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20718214 0.76 RAB9A (0.48) KMT2AKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL3269780 0.75 RAB9A (0.50) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL3765674 0.74 LMNA (0.43) KDM4ERAB9ASMN1; SMN2NPC1GAA
SCHEMBL10672139 0.74 KMT2A (0.54) KMT2AKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL22550470 0.74 RAB9A (0.48) KMT2AKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL22550492 0.74 RAB9A (0.48) KMT2AKDM4ERAB9ASMN1; SMN2NPC1

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-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 KMT2A 261/4885KDM4E 1547/4885RAB9A 1416/4885

“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.