SCHEMBL2617843

SCHEMBL2617843

N#Cc1ccc(N2CCN(C(=O)CO[C@H]3CC[C@H](Nc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.44
ENPP2 Q13822 7/20 0.41
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL2617767 1.00 AR (0.44) ARENPP2MAPTALDH1A1L3MBTL1
SCHEMBL2119279 1.00 AR (0.44) ARENPP2MAPTALDH1A1L3MBTL1
SCHEMBL2617813 0.92 AR (0.42) ARENPP2MAPTSIRT6HDAC3
SCHEMBL2122485 0.92 AR (0.42) ARENPP2MAPTSIRT6HDAC3
SCHEMBL2617880 0.92 AR (0.42) ARENPP2MAPTSIRT6HDAC3
SCHEMBL2617761 0.90 CCNC (0.44) ENPP2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL2617839 0.90 CCNC (0.44) ENPP2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL2122498 0.90 CCNC (0.44) ENPP2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL2120493 0.89 ENPP2 (0.43) ARENPP2MAPTALDH1A1L3MBTL1
SCHEMBL2617882 0.89 ENPP2 (0.43) ARENPP2MAPTALDH1A1L3MBTL1

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 3 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
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 AR 4346/4885ENPP2 168/4885MAPT 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.