SCHEMBL17596177

SCHEMBL17596177

COC(=O)c1cc2cccnc2c(-c2ccc(SC)cc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
DRD1 P21728 1/20 0.37
PSMD14 O00487 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
UBE2N P61088 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
SCHEMBL17596559 0.87 PDE4A (0.43) NPC1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL17596188 0.86 PDE4A (0.41) NPC1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL17596123 0.80 NPC1 (0.40) NPC1KMT2AMEN1RAB9A
SCHEMBL17596122 0.77 POLB (0.43) NPC1KMT2AMEN1KDM4ERAB9A
SCHEMBL17596193 0.75 KDM4E (0.48) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL17596451 0.75 MEN1 (0.50) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL17596128 0.74 ALDH1A1 (0.58) KMT2AMEN1KDM4EL3MBTL1RAB9A
SCHEMBL17595923 0.74 TDP1 (0.47) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL5749934 0.72 TDP1 (0.72) KMT2AMEN1L3MBTL1RAB9AALDH1A1
SCHEMBL28156442 0.71 LMNA (0.54) NPC1KMT2AMEN1KDM4EL3MBTL1

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 7 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
CN-106715425-A Herbicidal quinolines 先正达参股股份有限公司 2017-05-24 CN 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 NPC1 3435/4885KMT2A 522/4885MEN1 1355/4885

“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.