SCHEMBL2617830

SCHEMBL2617830

O=C(CO[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.43
SERPINE1 P05121 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
PRKAA2 P54646 1/20 0.40
IDE P14735 1/20 0.39
SCN9A Q15858 1/20 0.39
HTT P42858 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
SCHEMBL2617757 1.00 ENPP2 (0.43) ENPP2SERPINE1SMN1; SMN2MAPTALDH1A1
SCHEMBL2121419 1.00 ENPP2 (0.43) ENPP2SERPINE1SMN1; SMN2MAPTALDH1A1
SCHEMBL2119364 0.92 SERPINE1 (0.41) ENPP2SERPINE1SMN1; SMN2MAPTALDH1A1
SCHEMBL2617863 0.92 SERPINE1 (0.41) ENPP2SERPINE1SMN1; SMN2MAPTALDH1A1
SCHEMBL2617797 0.92 SERPINE1 (0.41) ENPP2SERPINE1SMN1; SMN2MAPTALDH1A1
SCHEMBL2617829 0.92 SERPINE1 (0.53) ENPP2SERPINE1SMN1; SMN2MAPTALDH1A1
SCHEMBL2617756 0.92 SERPINE1 (0.53) ENPP2SERPINE1SMN1; SMN2MAPTALDH1A1
SCHEMBL2122321 0.92 SERPINE1 (0.53) ENPP2SERPINE1SMN1; SMN2MAPTALDH1A1
SCHEMBL2121505 0.89 TIPARP (0.44) ENPP2SERPINE1PRKAA2
SCHEMBL2617828 0.89 TIPARP (0.44) ENPP2SERPINE1PRKAA2

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 389/4885SMN1; SMN2 4488/4885

“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.