SCHEMBL20184098

SCHEMBL20184098

N#Cc1ccc2c(c1)C(=O)N(Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.52
HDAC4 P56524 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
GRM5 P41594 1/20 0.49
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
DHPS P49366 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PARP1 P09874 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL1002813 0.89 GRM5 (0.58) HDAC1HDAC4HDAC6GRM5DRD2
SCHEMBL20184099 0.87 ADAM17 (0.43) HDAC1HDAC4HDAC6GRM5HDAC7
SCHEMBL20184005 0.83 ADAM17 (0.52) MEN1KMT2AADAM17
SCHEMBL27923999 0.83 HDAC1 (0.48) HDAC1GRM5DRD2DRD3CYP11B1
SCHEMBL2019162 0.80 HDAC1 (0.56) HDAC1HDAC4HDAC6DHPSPARP1
SCHEMBL20184092 0.79 ADAM17 (0.46) HDAC1HDAC4HDAC6DRD2DRD3
SCHEMBL20028546 0.79 HDAC1 (0.58) HDAC1HDAC4HDAC6GRM5DHPS
SCHEMBL29010959 0.79 KDM4E (0.55) HDAC1HDAC4HDAC6GRM5DHPS
SCHEMBL31391661 0.79 KDM4E (0.55) HDAC1HDAC4HDAC6GRM5DHPS
SCHEMBL15120603 0.79 HDAC1 (0.55) HDAC1HDAC4HDAC6GRM5DHPS

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-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

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.