SCHEMBL2111718

SCHEMBL2111718

Cc1nc(N2CCOCC2)ncc1-c1cc(Cl)ccc1OC(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.45
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
NRP1 O14786 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MCHR1 Q99705 1/20 0.39
BCL6 P41182 1/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 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
SCHEMBL1753405 0.82 KDM4E (0.49) AOC3KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL5762473 0.82 AOC3 (0.46) AOC3KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL5762469 0.81 AOC3 (0.45) AOC3KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL27658660 0.76 CNR2 (0.46) AOC3KDM4EMAPTMEN1ALDH1A1
SCHEMBL2112216 0.69 CTSA (0.39) TSHRCNR2
SCHEMBL2111908 0.68 KMT2A (0.42) SMN1; SMN2MAPTHTTMEN1ALDH1A1
SCHEMBL1690287 0.67 PTGDR2 (0.56) AOC3KDM4EPOLBCNR2NPC1
SCHEMBL1368670 0.65 PTGDR2 (0.52) KDM4ESMN1; SMN2MAPTHTTALDH1A1
SCHEMBL30540190 0.65 TSHR (0.51) KDM4EMEN1ALDH1A1KMT2ATSHR
SCHEMBL26635221 0.65 TSHR (0.51) KDM4EMEN1ALDH1A1KMT2ATSHR

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-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 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-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 AOC3 737/4885KDM4E 1696/4885SMN1; SMN2 3772/4885

“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.