SCHEMBL2123344

SCHEMBL2123344

O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TMEM97 Q5BJF2 3/20 0.37
AR P10275 6/20 0.37
CYP3A4 P08684 2/20 0.37
MALT1 Q9UDY8 1/20 0.37
EPHX2 P34913 1/20 0.37
CES2 O00748 1/20 0.37
ABCB11 O95342 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2617769 1.00 ENPP2 (0.41) ENPP2HDAC3HDAC1HDAC2HDAC6
SCHEMBL15354225 0.92 ENPP2 (0.44) ENPP2HDAC3HDAC1HDAC2HDAC6
SCHEMBL12947044 0.92 ENPP2 (0.44) ENPP2HDAC3HDAC1HDAC2HDAC6
SCHEMBL17429224 0.88 ENPP2 (0.45) ENPP2TMEM97ARCYP3A4EPHX2
SCHEMBL10062740 0.88 ENPP2 (0.45) ENPP2TMEM97ARCYP3A4EPHX2
SCHEMBL12916716 0.87 NPC1 (0.43) ENPP2TMEM97ARCYP3A4EPHX2
SCHEMBL12916712 0.86 ENPP2 (0.43) ENPP2TMEM97ARCYP3A4EPHX2
SCHEMBL15354221 0.86 ENPP2 (0.43) ENPP2TMEM97ARCYP3A4EPHX2
SCHEMBL17429062 0.86 AR (0.41) ENPP2HDAC3HDAC1HDAC2HDAC6
SCHEMBL2617761 0.86 CCNC (0.44) ENPP2HDAC3HDAC1HDAC2HDAC6

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-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
EP-2443091-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2013-04-03 EP disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 ENPP2 168/4885HDAC3 2094/4885HDAC1 2522/4885

“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.