SCHEMBL4905029

SCHEMBL4905029

CC(C)C(C)(C(=O)Nc1ccc(C#N)cc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ABCC9 O60706 3/20 0.49
KCNJ11 Q14654 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NLRP3 Q96P20 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL2581334 0.83 L3MBTL1 (0.70) HDAC1HDAC7HDAC8HDAC6ABCC9
SCHEMBL4909021 0.80 KMT2A (0.52) MAPTLMNAHTTMEN1KMT2A
SCHEMBL20941784 0.80 HDAC1 (0.66) HDAC1HDAC7HDAC8HDAC6ABCC9
SCHEMBL13656123 0.77 ABCC9 (0.52) HDAC1HDAC7HDAC8HDAC6ABCC9
SCHEMBL7523309 0.76 PDK1 (0.70) HDAC1HDAC7HDAC8HDAC6ABCC9
SCHEMBL12309897 0.76 PGR (0.56) ABCC9KCNJ11MAPTLMNATSHR
SCHEMBL20941785 0.76 HDAC1 (0.65) HDAC1HDAC7HDAC8HDAC6MAPT
SCHEMBL5785443 0.76 HDAC1 (0.69) HDAC1HDAC7HDAC8HDAC6MAPT
SCHEMBL20941550 0.76 MAPT (0.54) ABCC9KCNJ11MAPTLMNATSHR
SCHEMBL959690 0.75 EGLN2 (0.55) HDAC1HDAC7HDAC8HDAC6ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080112899-A1 Carboxamides and Their Use GIVAUDAN S.A. (CH) 2008-05-15 US claimed
EP-1814845-A1 CARBOXAMIDES AND THEIR USE Givaudan SA (CH) 2007-08-08 EP claimed
WO-2006056087-A1 CARBOXAMIDES AND THEIR USE GIVAUDAN SA (CH) 2006-06-01 WO claimed
US-20080112899-A1 Carboxamides and Their Use GIVAUDAN S.A. (CH) 2008-05-15 US disclosed
US-20080112899-A1 Carboxamides and Their Use GIVAUDAN S.A. (CH) 2008-05-15 US disclosed
US-20080112899-A1 Carboxamides and Their Use GIVAUDAN S.A. (CH) 2008-05-15 US disclosed
EP-1814845-A1 CARBOXAMIDES AND THEIR USE Givaudan SA (CH) 2007-08-08 EP disclosed
WO-2006056087-A1 CARBOXAMIDES AND THEIR USE GIVAUDAN SA (CH) 2006-06-01 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 (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-20080112899-A1 Carboxamides and Their Use NQO2, CBR3, COX4I1 HDAC1 448/4885HDAC7 1280/4885HDAC8 1128/4885

“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.