SCHEMBL12043202

SCHEMBL12043202

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 5/20 0.41
HPGD P15428 4/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
S1PR1 P21453 1/20 0.40
CCR5 P51681 2/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 1/20 0.37
SSTR5 P35346 1/20 0.37
PDE4B Q07343 1/20 0.37
SLC5A7 Q9GZV3 1/20 0.36
POLB P06746 2/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 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
SCHEMBL12042916 0.93 PDE4B (0.42) MAPTALDH1A1LMNAHPGDMAPK1
SCHEMBL12043061 0.93 ALDH1A1 (0.39) MAPTALDH1A1LMNAHPGDMAPK1
SCHEMBL12042959 0.91 ALDH1A1 (0.42) MAPTALDH1A1LMNAHPGDTDP1
SCHEMBL12042966 0.91 DRD2 (0.43) MAPTALDH1A1LMNAHPGDCCR5
SCHEMBL12042957 0.91 MCHR1 (0.42) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL12042977 0.89 CCR5 (0.37) MAPTALDH1A1LMNAHPGDS1PR1
SCHEMBL12042981 0.89 KDM4E (0.41) MAPTALDH1A1S1PR1CCR5MEN1
SCHEMBL12042970 0.89 KDM4E (0.41) MAPTALDH1A1LMNAHPGDMAPK1
SCHEMBL12059911 0.89 LIPE (0.41) ALDH1A1CCR5SSTR5
SCHEMBL12042967 0.88 SSTR5 (0.38) MAPTALDH1A1LMNAHPGDCCR5

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 4 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
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

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 MAPT 1648/4885ALDH1A1 864/4885LMNA 3826/4885

“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.