SCHEMBL17596128

SCHEMBL17596128

COC(=O)c1cc2cccnc2c(-c2ccccc2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
HPGD P15428 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.47
SLC40A1 Q9NP59 2/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
PLA2G2A P14555 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL17596170 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL17596158 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDNPSR1TDP1
SCHEMBL17596451 0.86 MEN1 (0.50) ALDH1A1KDM4EHPGDNPSR1TDP1
SCHEMBL17595923 0.85 TDP1 (0.47) ALDH1A1KDM4EHPGDNPSR1TDP1
SCHEMBL17595555 0.81 KMT2A (0.39) ALDH1A1KDM4EHPGDNPSR1SLC40A1
SCHEMBL17595553 0.78 POLB (0.47) KDM4EHPGDTDP1KMT2AMEN1
SCHEMBL12020192 0.74 KDM4E (0.55) ALDH1A1KDM4EHPGDNPSR1SLC40A1
SCHEMBL17596177 0.74 NPC1 (0.42) ALDH1A1KDM4ETDP1SLC40A1KMT2A
SCHEMBL24338474 0.73 KDM4E (0.50) ALDH1A1KDM4ETDP1SLC40A1KMT2A
SCHEMBL9945608 0.73 KDM4E (0.57) ALDH1A1KDM4EHPGDNPSR1TDP1

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 33/4885KDM4E 1955/4885HPGD 2552/4885

“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.