SCHEMBL20028546

SCHEMBL20028546

O=C1c2cc(Br)ccc2CN1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.58
HDAC4 P56524 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
ALDH1A1 P00352 2/20 0.52
ALDH2 P05091 2/20 0.52
ALDH3A1 P30838 2/20 0.52
HDAC7 Q8WUI4 1/20 0.46
DHPS P49366 1/20 0.45
PARP1 P09874 1/20 0.45
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM5 P41594 1/20 0.43
NR3C1 P04150 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
PREP P48147 1/20 0.41

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
SCHEMBL1500111 0.88 HDAC1 (0.49) HDAC1HDAC4HDAC6ALDH1A1ALDH2
SCHEMBL31667003 0.87 HDAC1 (0.48) HDAC1HDAC4HDAC6HDAC7ACHE
SCHEMBL24878857 0.86 GRM5 (0.56) HDAC1HDAC4HDAC6ALDH1A1ALDH2
SCHEMBL16850291 0.85 HDAC1 (0.58) HDAC1HDAC4HDAC6HDAC7DHPS
SCHEMBL2019162 0.84 HDAC1 (0.56) HDAC1HDAC4HDAC6ALDH1A1ALDH2
SCHEMBL2020917 0.83 PARP1 (0.49) HDAC1HDAC4HDAC6ALDH1A1ALDH2
SCHEMBL20773874 0.82 PARK7 (0.50) HDAC1HDAC4HDAC6HDAC7MEN1
SCHEMBL29507053 0.82 PARK7 (0.50) HDAC1HDAC4HDAC6HDAC7MEN1
SCHEMBL15120603 0.82 HDAC1 (0.55) HDAC1HDAC4HDAC6HDAC7DHPS
SCHEMBL31391661 0.82 KDM4E (0.55) HDAC1HDAC4HDAC6ALDH1A1HDAC7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357484-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-23 US disclosed
US-20190008836-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-10 US disclosed
EP-3327019-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-05-30 EP disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO 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-10357484-B2 Heterocyclic compound HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC4 9/4885HDAC6 7/4885
US-20190008836-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC4 9/4885HDAC6 7/4885

“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.