SCHEMBL12043181

SCHEMBL12043181

COc1cc(OC2CCN(C(=O)CCN3CCC(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.36
DRD2 P14416 1/20 0.36
ADAM17 P78536 1/20 0.36
CCR5 P51681 1/20 0.36
NAMPT P43490 1/20 0.36
THRA P10827 1/20 0.36
VDR P11473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL12059663 0.93 LIPE (0.42) PDE4BMAPTALDH1A1HPGDLMNA
SCHEMBL12042907 0.93 DRD2 (0.43) PDE4BMAPTALDH1A1HPGDLMNA
SCHEMBL12042977 0.92 CCR5 (0.37) PDE4BMAPTALDH1A1HPGDLMNA
SCHEMBL12042904 0.91 PDE4B (0.41) PDE4BMAPTALDH1A1HPGDLMNA
SCHEMBL13158439 0.90 THRB (0.38) MAPTALDH1A1HPGDLMNATHRB
SCHEMBL12042901 0.90 MCHR1 (0.42) PDE4BMAPTALDH1A1HPGDLMNA
SCHEMBL12043022 0.90 TLR9 (0.36) MAPTALDH1A1THRBMEN1KMT2A
SCHEMBL12042899 0.89 ALDH1A1 (0.45) MAPTALDH1A1HPGDLMNAMEN1
SCHEMBL12042910 0.89 THRB (0.41) PDE4BMAPTALDH1A1HPGDLMNA
SCHEMBL12042918 0.89 THRB (0.41) PDE4BMAPTALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO PDE4B 2164/4885MAPT 1648/4885ALDH1A1 864/4885

“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.