SCHEMBL569272

SCHEMBL569272

Cn1c(Oc2ccc(Br)cc2F)nc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PDE4B Q07343 2/20 0.38
PDE4D Q08499 1/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.36
HTT P42858 4/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL569065 0.79 LMNA (0.43) HDAC1HDAC6HDAC5HDAC8PKM
SCHEMBL15064879 0.78 HDAC1 (0.40) HDAC1HDAC6HDAC5HDAC8PKM
SCHEMBL12473846 0.76 TGFBR1 (0.41) HDAC1HDAC6HDAC5HDAC8PKM
SCHEMBL571021 0.74 PIK3CD (0.38) HDAC1HDAC6HDAC5HDAC8MET
SCHEMBL15064613 0.74 HDAC1 (0.38) HDAC1HDAC6HDAC5HDAC8PKM
SCHEMBL12473513 0.72 MC4R (0.41) PKMSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL12473773 0.71 NPC1 (0.39) HDAC1HDAC6HDAC5HDAC8PKM
SCHEMBL11923718 0.71 LMNA (0.51) HDAC1HDAC6HDAC5HDAC8PKM
SCHEMBL24772752 0.71 POLB (0.47) PKMKDM4EPOLBL3MBTL1TSHR
SCHEMBL12045427 0.71 PDE10A (0.46) HDAC1HDAC6HDAC5HDAC8PKM

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
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A HDAC1 73/4885HDAC6 271/4885HDAC5 126/4885

“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.