SCHEMBL20006725

SCHEMBL20006725

O=C(CCl)c1ccc(Oc2ccc(Cl)cc2)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
P2RX3 P56373 2/20 0.44
GSK3B P49841 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
MMP1 P03956 1/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 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
SCHEMBL18529456 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1HIF1AP2RX3GSK3B
SCHEMBL19994239 0.82 P2RX3 (0.45) P2RX3MEN1KMT2AEGLN1L3MBTL1
SCHEMBL3564476 0.79 P2RX3 (0.58) ALDH1A1P2RX3MEN1KMT2AEGLN1
SCHEMBL19994248 0.79 LMNA (0.48) ALDH1A1P2RX3LMNAMAPTHTT
SCHEMBL19994245 0.75 PKM (0.43) ALDH1A1P2RX3MEN1KMT2AEGLN1
SCHEMBL20006624 0.74 ALDH1A1 (0.67) ALDH1A1MAPK1HIF1AGSK3BMEN1
SCHEMBL28865211 0.72 MCL1 (0.47) ALDH1A1P2RX3MEN1KMT2AEGLN1
SCHEMBL15756687 0.71 GSK3B (0.77) ALDH1A1MAPK1HIF1AGSK3BKMT2A
SCHEMBL19808909 0.71 TUBB4A (0.51) ALDH1A1P2RX3EGLN1L3MBTL1LMNA
SCHEMBL18529459 0.70 KDM4E (0.50) ALDH1A1MAPK1MEN1KMT2AMAPT

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-20190281828-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-09-19 US disclosed
US-20190281828-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-09-19 US disclosed
WO-2018054829-A1 NOVEL TRIAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 WO 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-20190281828-A1 NOVEL TRIAZOLE DERIVATIVES CBR3, TH, PADI1 ALDH1A1 2043/4885MAPK1 2079/4885HIF1A 3038/4885

“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.