SCHEMBL17596170

SCHEMBL17596170

COc1c(C(=O)O)cc2cccnc2c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DHODH Q02127 2/20 0.45
NSD2 O96028 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
PDE10A Q9Y233 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
IKBKB O14920 1/20 0.41
POLB P06746 1/20 0.41
PDE4A P27815 2/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL17596128 0.91 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ENPSR1MEN1
SCHEMBL17596158 0.87 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ELMNANPSR1
SCHEMBL17595555 0.82 KMT2A (0.39) ALDH1A1HPGDKDM4ENPSR1MEN1
SCHEMBL17595556 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAALOX12DHODH
SCHEMBL17595920 0.80 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ELMNAALOX12
SCHEMBL17595553 0.79 POLB (0.47) HPGDKDM4ELMNAMEN1KMT2A
SCHEMBL17596451 0.79 MEN1 (0.50) ALDH1A1HPGDKDM4ENPSR1MEN1
SCHEMBL17596120 0.78 L3MBTL1 (0.50) ALDH1A1KDM4ELMNAALOX12DHODH
SCHEMBL17595923 0.78 TDP1 (0.47) ALDH1A1HPGDKDM4ENPSR1MEN1
SCHEMBL13255421 0.77 DHODH (0.52) ALDH1A1KDM4ELMNAALOX12DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715425-B Herbicidal quinolines 先正达参股股份有限公司 2020-11-06 CN disclosed
EP-3191465-B1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2018-12-19 EP disclosed
US-9980486-B2 Herbicidal quinolines SYNGENTA PARTICIPATIONS AG (CH) 2018-05-29 US disclosed
US-20170251670-A1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2017-09-07 US disclosed
EP-3191465-A1 HERBICIDAL QUINOLINES Syngenta Participations AG (CH) 2017-07-19 EP disclosed
WO-2016038173-A1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 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-20170251670-A1 HERBICIDAL QUINOLINES NQO2, DDT, ATP1B1 ALDH1A1 33/4885HPGD 2552/4885KDM4E 1955/4885

“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.