SCHEMBL21020967

SCHEMBL21020967

Cc1cccc(C(=O)NCC(C)(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KCNK3 O14649 2/20 0.54
KCNH2 Q12809 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
CYP2C19 P33261 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
ABCB1 P08183 1/20 0.51
LMNA P02545 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL12331017 0.89 HDAC8 (0.57) HDAC8HDAC6NPC1RAB9AATM
SCHEMBL12678023 0.85 MAPK14 (0.57) HDAC8HDAC6NPC1RAB9AATM
SCHEMBL18971666 0.84 ATM (0.59) HDAC8HDAC6NPC1RAB9AATM
SCHEMBL3655101 0.83 KDM4E (0.59) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL18944083 0.83 HDAC8 (0.51) HDAC8HDAC6NPC1RAB9AATM
SCHEMBL20206540 0.82 ACHE (0.55) HDAC8HDAC6RAB9ASMN1; SMN2POLB
SCHEMBL18175984 0.82 KDM4E (0.54) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL29836705 0.82 L3MBTL1 (0.67) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL1360195 0.81 HDAC8 (0.65) HDAC8HDAC6NPC1RAB9AATM
SCHEMBL10605827 0.81 HDAC8 (0.65) HDAC8HDAC6NPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151289-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) Histone Demethylase UNIV YALE (US) 2019-05-23 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-20190151289-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) Histone Demethylase KDM1A, KDM1B, JMJD1C HDAC8 168/4885HDAC6 610/4885NPC1 4419/4885

“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.