SCHEMBL4285728

SCHEMBL4285728

NC(=O)c1ccn(CCc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.49
ADORA2A P29274 3/20 0.49
ADORA1 P30542 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ADA P00813 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA1D P25100 1/20 0.40
PARP1 P09874 2/20 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
SCHEMBL28188816 0.87 HDAC1 (0.51) HDAC1ADORA2AADORA1HDAC3HDAC4
SCHEMBL4288842 0.84 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL27756146 0.82 KMT2A (0.58) HDAC1ADORA2AADORA1HDAC3HDAC4
SCHEMBL2661462 0.78 KDM4C (0.41) HDAC1KMT2AMEN1
Hydrochloric Acid SCHEMBL1081304 0.77 KDM4C (0.40) HDAC1KMT2AMEN1
SCHEMBL17076692 0.77 ALDH1A1 (0.38) KMT2AMEN1
SCHEMBL2361631 0.77 ALDH1A1 (0.44) KMT2AMEN1L3MBTL1
SCHEMBL6309532 0.76 ALDH1A1 (0.37) HDAC1KMT2AMEN1
SCHEMBL1859550 0.75 ALDH1A1 (0.49) HDAC1ADORA2AADORA1HDAC3HDAC4
SCHEMBL6671375 0.74 ALDH1A1 (0.42) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573006-A Heterocyclic amides of RIP1 kinase inhibitors as pharmaceuticals 葛兰素史密斯克莱知识产权发展有限公司 2017-04-19 CN disclosed
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP HDAC1 11/4885ADORA2A 1801/4885ADORA1 872/4885

“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.