SCHEMBL5863233

SCHEMBL5863233

O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
MAPT P10636 7/20 0.62
LMNA P02545 2/20 0.62
PKM P14618 2/20 0.61
ATM Q13315 1/20 0.61
NPC1 O15118 1/20 0.61
TP53 P04637 1/20 0.61
MAPK1 P28482 1/20 0.61
RAB9A P51151 1/20 0.61
EPHX2 P34913 2/20 0.60
TRPV1 Q8NER1 3/20 0.58
ALDH1A1 P00352 2/20 0.58
ABL1 P00519 2/20 0.58
KCNH2 Q12809 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.55
KDM1A O60341 1/20 0.55
MAOA P21397 1/20 0.55

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
SCHEMBL8770431 0.87 HDAC8 (0.81) HDAC8HDAC6MAPTLMNAPKM
SCHEMBL6920040 0.87 ABL1 (0.62) MAPTPKMTP53MAPK1RAB9A
SCHEMBL5863308 0.86 EPHX2 (0.72) MAPTLMNAPKMNPC1RAB9A
SCHEMBL5863084 0.83 MEN1 (0.69) HDAC8HDAC6MAPTLMNAPKM
SCHEMBL4250462 0.81 MAPT (0.67) MAPTLMNANPC1RAB9AEPHX2
SCHEMBL21254538 0.81 MAPT (0.74) HDAC8HDAC6MAPTLMNAPKM
SCHEMBL1663346 0.80 HDAC8 (0.70) HDAC8HDAC6MAPTLMNAPKM
SCHEMBL2345071 0.79 MAPT (0.63) HDAC8HDAC6MAPTLMNAPKM
SCHEMBL1663783 0.79 HDAC8 (0.81) HDAC8HDAC6MAPTLMNAPKM
SCHEMBL1663884 0.79 SIRT2 (0.51) HDAC8HDAC6MAPTLMNAPKM

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-7125997-B2 Differential tumor cytotoxicity compounds and compositions IRM LLC (BM) 2006-10-24 US claimed
US-7125997-B2 Differential tumor cytotoxicity compounds and compositions IRM LLC (BM) 2006-10-24 US disclosed
US-20040132786-A1 Differential tumor cytotoxicity compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2004-07-08 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-20040132786-A1 Differential tumor cytotoxicity compounds and compositions MIF, FOXM1, MYADM HDAC8 2867/4885HDAC6 1474/4885MAPT 4643/4885

“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.