SCHEMBL175506

SCHEMBL175506

C=CC(O)c1ccc2cccnc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
OGA O60502 1/20 0.36
MMP2 P08253 2/20 0.35
TSHR P16473 2/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
CYP3A4 P08684 2/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL6886437 0.82 LMNA (0.52) ALDH1A1KDM4ELMNAMMP2TSHR
SCHEMBL175888 0.80 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL19283903 0.77 LMNA (0.47) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL1115861 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL2611076 0.73 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL3182434 0.73 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL31544398 0.72 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29724050 0.71 SLC6A2 (0.45) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL1525815 0.71 SLC6A2 (0.45) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL19283998 0.70 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMEN1KMT2A

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-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT ALDH1A1 677/4885KDM4E 1231/4885LMNA 2087/4885

“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.