SCHEMBL7069427

SCHEMBL7069427

O=C(O)N1CCCC(NC2CCCc3cccnc32)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
ADORA2A P29274 1/20 0.38
P2RX7 Q99572 2/20 0.38
CXCR4 P61073 3/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
OPRL1 P41146 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4760253 0.85 FNTA (0.49) HDAC6FNTAFNTBCXCR4
SCHEMBL30096647 0.78 HDAC1 (0.49) HDAC1HDAC6ADORA2AP2RX7
SCHEMBL4882174 0.78 HDAC1 (0.49) HDAC1HDAC6ADORA2AP2RX7CXCR4
SCHEMBL18157989 0.76 HDAC1 (0.52) HDAC1HDAC6ADORA2AP2RX7CXCR4
SCHEMBL14130906 0.76 HDAC1 (0.44) HDAC1HDAC6FNTAFNTBCXCR4
SCHEMBL21383597 0.76 HDAC1 (0.48) HDAC1HDAC6FNTAFNTBADORA2A
SCHEMBL21383595 0.76 HDAC1 (0.48) HDAC1HDAC6FNTAFNTBADORA2A
SCHEMBL2084608 0.74 FNTA (0.51) HDAC1HDAC6FNTAFNTBCXCR4
Oxalic Acid SCHEMBL3743488 0.74 HDAC1 (0.53) HDAC1HDAC6ADORA2AP2RX7CXCR4
SCHEMBL20483459 0.72 HDAC1 (0.49) HDAC1HDAC6CXCR4PRMT5WDR77

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-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2003-11-27 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-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 HDAC1 1094/4885HDAC6 1371/4885FNTA 2842/4885

“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.