SCHEMBL2617840

SCHEMBL2617840

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.42
MCHR1 Q99705 1/20 0.41
SERPINE1 P05121 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TRPV1 Q8NER1 3/20 0.38

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
SCHEMBL2119264 1.00 ENPP2 (0.42) ENPP2MCHR1SERPINE1ALDH1A1MAPT
SCHEMBL2617764 1.00 ENPP2 (0.42) ENPP2MCHR1SERPINE1ALDH1A1MAPT
SCHEMBL2121495 0.92 SERPINE1 (0.38) SERPINE1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL2617874 0.92 SERPINE1 (0.38) SERPINE1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL2617810 0.92 SERPINE1 (0.38) SERPINE1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL2617763 0.92 SERPINE1 (0.49) ENPP2MCHR1SERPINE1MAPTSMN1; SMN2
SCHEMBL2118277 0.92 SERPINE1 (0.49) ENPP2MCHR1SERPINE1MAPTSMN1; SMN2
SCHEMBL2617838 0.92 SERPINE1 (0.49) ENPP2MCHR1SERPINE1MAPTSMN1; SMN2
SCHEMBL2617772 0.90 ENPP2 (0.41) ENPP2MCHR1SERPINE1ALDH1A1SMN1; SMN2
SCHEMBL2617895 0.90 ENPP2 (0.41) ENPP2MCHR1SERPINE1ALDH1A1SMN1; 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 168/4885MCHR1 2565/4885SERPINE1 389/4885

“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.