SCHEMBL12828682

SCHEMBL12828682

COc1ccc(-c2ccc(OC)c(/C=C/c3nc(-c4ccc(Cl)cc4Cl)c[nH]3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
CXCR2 P25025 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL1480765 0.88 MEN1 (0.37) DPP4AURKAAURKBMEN1KMT2A
SCHEMBL1480762 0.88 MEN1 (0.37) DPP4AURKAAURKBMEN1KMT2A
SCHEMBL12828683 0.88 LPAR2 (0.41) TDP1HTTPTPN1
SCHEMBL12828681 0.87 LPAR2 (0.42) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1481070 0.86 MAPT (0.44) DPP4AURKAAURKBMEN1KMT2A
SCHEMBL1481066 0.86 MAPT (0.44) DPP4AURKAAURKBMEN1KMT2A
SCHEMBL12829209 0.85 FFAR4 (0.40) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL1481896 0.85 AMY1A (0.43) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1481897 0.85 AMY1A (0.43) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1483102 0.84 KIT (0.41) MEN1KMT2AMAPTLMNAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ DPP4 132/4885AURKA 3414/4885AURKB 3057/4885

“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.