SCHEMBL2617895

SCHEMBL2617895

O=C(CO[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccc(C(F)F)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.41
SERPINE1 P05121 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PANK3 Q9H999 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL2119586 1.00 ENPP2 (0.41) ENPP2SERPINE1HDAC3HDAC1HDAC2
SCHEMBL2617772 1.00 ENPP2 (0.41) ENPP2SERPINE1HDAC3HDAC1HDAC2
SCHEMBL2617763 0.91 SERPINE1 (0.49) ENPP2SERPINE1PANK3MEN1KMT2A
SCHEMBL2617838 0.91 SERPINE1 (0.49) ENPP2SERPINE1PANK3MEN1KMT2A
SCHEMBL2118277 0.91 SERPINE1 (0.49) ENPP2SERPINE1PANK3MEN1KMT2A
SCHEMBL2119264 0.90 ENPP2 (0.42) ENPP2SERPINE1HDAC3HDAC1HDAC2
SCHEMBL2617764 0.90 ENPP2 (0.42) ENPP2SERPINE1HDAC3HDAC1HDAC2
SCHEMBL2617840 0.90 ENPP2 (0.42) ENPP2SERPINE1HDAC3HDAC1HDAC2
SCHEMBL2617773 0.90 PANK3 (0.40) ENPP2PANK3MEN1KMT2ASMN1; SMN2
SCHEMBL2119676 0.90 PANK3 (0.40) ENPP2PANK3MEN1KMT2ASMN1; 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 2 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-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 168/4885SERPINE1 389/4885HDAC3 2094/4885

“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.