SCHEMBL2617755

SCHEMBL2617755

N#Cc1ccc(N2CCN(C(=O)COC3CCC(Oc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.43
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ AR P10275 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL2120493 1.00 ENPP2 (0.43) ENPP2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL2617882 1.00 ENPP2 (0.43) ENPP2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL2118994 0.91 ENPP2 (0.45) ENPP2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL2617827 0.91 ENPP2 (0.45) ENPP2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL2119279 0.89 AR (0.44) ENPP2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL2617767 0.89 AR (0.44) ENPP2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL2617843 0.89 AR (0.44) ENPP2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL2617781 0.88 AR (0.51) MAPTAR
SCHEMBL2121529 0.88 AR (0.51) MAPTAR
SCHEMBL15177486 0.88 AR (0.51) MAPTAR

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 168/4885MAPT 2856/4885ALDH1A1 331/4885

“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.

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