SCHEMBL2118334

SCHEMBL2118334

COc1ccc(N2CCN(C(=O)COC3CCC(Oc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LIPE Q05469 1/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CA P42336 2/20 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
SCHEMBL2617826 1.00 ENPP2 (0.43) ENPP2SIRT6MAPTCYP3A4CYP2D6
SCHEMBL2617853 0.92 SIRT6 (0.41) ENPP2SIRT6MAPTALDH1A1LMNA
SCHEMBL2122283 0.92 SIRT6 (0.41) ENPP2SIRT6MAPTALDH1A1LMNA
SCHEMBL2617827 0.91 ENPP2 (0.45) ENPP2SIRT6MAPTCYP3A4CYP2D6
SCHEMBL2118994 0.91 ENPP2 (0.45) ENPP2SIRT6MAPTCYP3A4CYP2D6
SCHEMBL2122495 0.88 ENPP2 (0.41) ENPP2SIRT6MAPTCYP3A4CYP2D6
SCHEMBL2617837 0.88 ENPP2 (0.41) ENPP2SIRT6MAPTCYP3A4CYP2D6
SCHEMBL2617760 0.88 ENPP2 (0.41) ENPP2SIRT6MAPTCYP3A4CYP2D6
SCHEMBL2120493 0.88 ENPP2 (0.43) ENPP2SIRT6MAPTCYP3A4CYP2D6
SCHEMBL2617882 0.88 ENPP2 (0.43) ENPP2SIRT6MAPTCYP3A4CYP2D6

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 168/4885SIRT6 1479/4885MAPT 2856/4885

“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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