SCHEMBL12042811

SCHEMBL12042811

CCCc1ccc(C2CCN(CCC(=O)N3CCC(Oc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TMEM97 Q5BJF2 4/20 0.38
S1PR1 P21453 1/20 0.38
EPHX2 P34913 1/20 0.37
LIPE Q05469 2/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL12043679 0.92 TMEM97 (0.37) LMNATMEM97S1PR1EPHX2SLC5A7
SCHEMBL12042799 0.91 DRD2 (0.41) LMNAALDH1A1HPGDMAPTTMEM97
SCHEMBL12042770 0.91 TMEM97 (0.38) TMEM97EPHX2LIPETLR9TLR8
SCHEMBL13158282 0.90 LIPE (0.42) TMEM97EPHX2LIPE
SCHEMBL12042819 0.89 LIPE (0.39) TMEM97LIPETLR9TLR8TLR7
SCHEMBL13158283 0.89 MCHR1 (0.39) TMEM97EPHX2
SCHEMBL9984310 0.88 TMEM97 (0.42) LMNAALDH1A1HPGDMAPTMAPK1
SCHEMBL12042816 0.88 TMEM97 (0.42) TMEM97S1PR1EPHX2LIPETLR9
SCHEMBL12042916 0.88 PDE4B (0.42) LMNAALDH1A1HPGDMAPTMAPK1
SCHEMBL12043202 0.87 MAPT (0.41) LMNAALDH1A1HPGDMAPTMAPK1

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 6 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
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 LMNA 3826/4885ALDH1A1 864/4885HPGD 1189/4885

“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.