SCHEMBL381670

SCHEMBL381670

O=C(ON1CCC(c2ccc(Oc3ccccc3)cc2)CC1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.50
PARP10 Q53GL7 4/20 0.46
PARP14 Q460N5 3/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KCNH2 Q12809 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 1/20 0.39
DRD2 P14416 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL8528754 0.89 SLC18A3 (0.46) NPC1RAB9AHRH3KCNH2SMN1; SMN2
SCHEMBL942295 0.84 EPHX2 (0.47) HRH3HSD11B1
SCHEMBL21381950 0.76 MEN1 (0.45) HRH3HSD11B1DRD2
SCHEMBL10006606 0.76 MEN1 (0.39) NPC1RAB9AKCNH2ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL381669 0.76 SLC18A3 (0.51) MMP3KCNH2SCN3A
SCHEMBL31616130 0.75 NAMPT (0.61) MMP3PARP10PARP14NPC1RAB9A
SCHEMBL27488566 0.75 RIPK1 (0.51) HRH3KCNH2ALDH1A1HSD11B1DRD2
SCHEMBL16755915 0.74 CYP11B2 (0.48) KCNH2ALDH1A1LMNAHSD11B1
SCHEMBL28752729 0.74 EPHX2 (0.46) HRH3LMNAHSD11B1
SCHEMBL4327969 0.74 TEAD1 (0.58) NPC1RAB9AALDH1A1LMNASMN1; SMN2

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
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
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 MMP3 603/4885PARP10 2805/4885PARP14 2412/4885

“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.