SCHEMBL500022

SCHEMBL500022

Nc1ccc2c(C(F)(F)F)ccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
EGFR P00533 3/20 0.43
AR P10275 4/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CASP1 P29466 2/20 0.41
ATM Q13315 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SRC P12931 1/20 0.41
HPGD P15428 1/20 0.41
CASP7 P55210 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR9 Q9NR96 1/20 0.41
BACE1 P56817 1/20 0.41
NR4A2 P43354 1/20 0.40

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
SCHEMBL24363277 0.79 ALK (0.46) ARBACE1HTTADRB2NCF1
SCHEMBL500930 0.79 AR (0.42) ARBACE1NR4A2SOS2NOS3
SCHEMBL30224635 0.79 ALK (0.46) ARBACE1HTTADRB2NCF1
SCHEMBL4374398 0.79 TLR8 (0.44) GAAARALDH1A1CASP1ATM
SCHEMBL669631 0.79 NR4A2 (0.56) GAACASP1ATMHSD17B10KMT2A
SCHEMBL27964250 0.77 BACE1 (0.51) GAATSHRGLAPOLBEGFR
SCHEMBL3073397 0.75 NR4A2 (0.66) TSHREGFRKDM4EALDH1A1CASP1
SCHEMBL30044428 0.75 NR4A2 (0.66) TSHREGFRKDM4EALDH1A1CASP1
SCHEMBL6033548 0.75 HTR1A (0.54) ARKDM4ENPSR1
SCHEMBL6033041 0.75 AAK1 (0.46) EGFRARBACE1NOS3NOS2

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-114409594-B Glutathione ratio fluorescent probe of targeting golgi, preparation method and application 济南大学 2023-09-26 CN disclosed
CN-114409594-A Targeted Golgi-body glutathione ratiometric fluorescent probe, preparation method and application 济南大学 2022-04-29 CN disclosed
CN-110885312-B Golgi-targeted cysteine fluorescent probe, and preparation method and application thereof 济南大学 2022-04-12 CN disclosed
CN-110885312-A Golgi-targeted cysteine fluorescent probe, and preparation method and application thereof 济南大学 2020-03-17 CN disclosed
US-8106206-B2 Solid luminescent quinoline compounds KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2012-01-31 US disclosed
US-20110263861-A1 QUINOLINE COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2011-10-27 US 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-20110263861-A1 QUINOLINE COMPOUND GTF3C3, GTF3C2, GTF3C1 GAA 4157/4885TSHR 3968/4885GLA 3438/4885

“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.