SCHEMBL17596186

SCHEMBL17596186

CCOC(=O)c1cc2cccnc2c(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 7/20 0.46
MAPT P10636 6/20 0.46
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 5/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44

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
SCHEMBL17596508 0.86 KDM4E (0.46) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL20328554 0.85 KDM4E (0.47) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL18309312 0.84 FOS (0.49) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL17596120 0.83 L3MBTL1 (0.50) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL17596158 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL3788631 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL11908675 0.74 CCR1 (0.53) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL17596608 0.74 L3MBTL1 (0.40) L3MBTL1CYP1A2CYP2C9TOP1
SCHEMBL5297257 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL30813138 0.73 KDM4E (0.53) ALDH1A1KDM4EMAPTHPGDNPSR1

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 1955/4885MAPT 3589/4885

“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.