SCHEMBL6572449

SCHEMBL6572449

CN1CCCC1CCNC(=O)c1ccc(C(=O)NO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC2 Q92769 1/20 0.56
ACKR3 P25106 3/20 0.52
BRAF P15056 1/20 0.50
HDAC1 Q13547 1/20 0.50
CHRNB2 P17787 3/20 0.48
CHRNA7 P36544 3/20 0.48
CHRNA4 P43681 3/20 0.48
TLR9 Q9NR96 1/20 0.48
TLR8 Q9NR97 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CHRNA5 P30532 2/20 0.45
POLR1A O95602 1/20 0.45
EGLN1 Q9GZT9 2/20 0.44
DRD1 P21728 1/20 0.44
HRH2 P25021 1/20 0.44

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
SCHEMBL3034950 0.96 BRAF (0.55) HDAC8HDAC6HDAC2ACKR3BRAF
SCHEMBL3029725 0.90 ACKR3 (0.49) HDAC8HDAC6HDAC2ACKR3BRAF
SCHEMBL10196660 0.89 ACKR3 (0.64) ACKR3BRAFTLR9TLR8TLR7
SCHEMBL12156581 0.88 ACKR3 (0.51) ACKR3BRAFCHRNB2CHRNA7CHRNA4
SCHEMBL13118285 0.88 ACKR3 (0.61) ACKR3CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL15317690 0.87 MAPK1 (0.59) ACKR3BRAFTLR9TLR8TLR7
SCHEMBL8162955 0.86 ACKR3 (0.63) ACKR3BRAFCHRNB2CHRNA7CHRNA4
SCHEMBL3043651 0.85 ACKR3 (0.51) ACKR3BRAFCHRNB2CHRNA7CHRNA4
SCHEMBL12093452 0.85 NPSR1 (0.61) ACKR3BRAFNPSR1DRD1HRH2
SCHEMBL3642169 0.83 ACKR3 (0.54) ACKR3BRAFCHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US claimed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 US claimed
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US disclosed
US-6784173-B2 ANTIPROLIFERATIVE AGENTS; ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-08-31 US disclosed
EP-1401824-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. Hoffman-la Roche AG (CH) 2004-03-31 EP disclosed
WO-2003011851-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2003-02-13 WO disclosed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 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 (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-20040214862-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HDAC8 6/4885HDAC6 13/4885HDAC2 2/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 HDAC8 6/4885HDAC6 13/4885HDAC2 2/4885

“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.