SCHEMBL21166503

SCHEMBL21166503

C#CC(C)(C)c1cccc(NC(=O)c2ccc(Cl)c(CC)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 1/20 0.48
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ANO1 Q5XXA6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KCNK9 Q9NPC2 3/20 0.43
KCNK3 O14649 3/20 0.43
BRAF P15056 2/20 0.43
RAF1 P04049 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL19363654 0.87 HDAC8 (0.62) KCNJ6KCNJ5KCNJ3HDAC3HDAC8
SCHEMBL16072318 0.86 HDAC3 (0.49) HDAC3HDAC8HDAC6MAPTSMN1; SMN2
SCHEMBL17524682 0.83 HDAC3 (0.46) HDAC3HDAC8HDAC6MAPTLMNA
SCHEMBL16071617 0.75 BRAF (0.58) BRAFRAF1CYP2C9
SCHEMBL16060222 0.74 BRAF (0.55) HDAC3HDAC8HDAC6BRAFRAF1
SCHEMBL16071625 0.72 HDAC8 (0.65) KCNJ6KCNJ5KCNJ3HDAC3HDAC8
SCHEMBL16133971 0.72 BRAF (0.54) HDAC3HDAC8HDAC6BRAFRAF1
SCHEMBL16059356 0.72 HDAC8 (0.64) KCNJ6KCNJ5KCNJ3HDAC3HDAC8
SCHEMBL17936028 0.71 MAPT (0.64) MAPTLMNAMEN1KMT2AKCNK9
SCHEMBL16133974 0.70 HDAC8 (0.61) KCNJ6KCNJ5KCNJ3HDAC3HDAC8

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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC KCNJ6 1493/4885KCNJ5 1174/4885KCNJ3 1177/4885

“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.