SCHEMBL5956440

SCHEMBL5956440

COc1ccc(-c2cc(CC(=O)c3cccc(C)n3)ccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MIF P14174 1/20 0.43
KDM1A O60341 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
CYP3A4 P08684 1/20 0.41
ROCK1 Q13464 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CTSA P10619 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5956561 0.87 ACACA (0.43) WNT3AMAPTADORA2AADORA1
SCHEMBL5956384 0.87 SCN10A (0.47) WNT3AABL1
SCHEMBL5956629 0.87 TGFBR1 (0.47) WNT3AKDM4EMIFABL1BCR
SCHEMBL5956662 0.85 LOXL2 (0.55) WNT3AKDM4ENPC1RAB9AGAA
SCHEMBL5956490 0.85 WNT3A (0.39) WNT3AKDM1AHDAC1HDAC6
SCHEMBL6180356 0.85 RAB9A (0.48) KDM4EKDM1AHDAC1HDAC6HDAC2
SCHEMBL5956453 0.83 TGFBR1 (0.45) WNT3A
SCHEMBL5956509 0.83 IRAK4 (0.41) WNT3AKDM4EABL1BCRMAPT
SCHEMBL5956502 0.82 PRKAB2 (0.47) KDM4EKDM1AHDAC1ROCK1HTT
SCHEMBL5240771 0.82 USP2 (0.51) KDM4ECYP3A4NPC1RAB9AMAPT

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-20060004051-A1 Compounds DODIC NERINA 2006-01-05 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-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 WNT3A 787/4885KDM4E 649/4885MIF 926/4885

“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.