SCHEMBL381064

SCHEMBL381064

CC(C)(C)OC(=O)N1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GPR119 Q8TDV5 7/20 0.52
LMNA P02545 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
DDB1 Q16531 2/20 0.47
CRBN Q96SW2 2/20 0.47
CNR1 P21554 1/20 0.46
JAK1 P23458 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 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
SCHEMBL29119866 0.88 ALDH1A1 (0.45) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL30218491 0.88 ALDH1A1 (0.45) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL29119864 0.88 ALDH1A1 (0.45) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL30217976 0.88 ALDH1A1 (0.45) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL28037015 0.85 MAPT (0.54) ALDH1A1MAPTMAPK1LMNAPTPN2
SCHEMBL28037394 0.85 KDM4E (0.49) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL16976307 0.83 ALDH1A1 (0.65) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL2710342 0.83 ALDH1A1 (0.69) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL29716436 0.83 ALDH1A1 (0.61) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4240888 0.82 ALDH1A1 (0.64) ALDH1A1MAPTNPC1MAPK1HTT

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 9 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
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 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
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 ALDH1A1 864/4885MAPT 1648/4885NPC1 1384/4885

“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.