SCHEMBL21799189

SCHEMBL21799189

Cc1ccc(NCc2ccc(Br)s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 3/20 0.46
MAPT P10636 7/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 3/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL24036413 0.79 MEN1 (0.43) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL11424096 0.77 FFAR1 (0.45) MEN1KMT2AKDM4EPOLB
SCHEMBL1750044 0.72
SCHEMBL4347156 0.71 EGFR (0.40) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL4358645 0.71 EGFR (0.45) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4347704 0.70 EGFR (0.37) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL9377008 0.69
SCHEMBL14308851 0.69
SCHEMBL19419957 0.68 MEN1 (0.67) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL28675543 0.68 MEN1 (0.67) MEN1KMT2AHTTMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730838-B2 Green preparation method for quinoline compounds DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2020-08-04 US disclosed
US-20200079737-A1 GREEN PREPARATION METHOD FOR QUINOLINE COMPOUNDS DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2020-03-12 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 (2 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-20200079737-A1 GREEN PREPARATION METHOD FOR QUINOLINE COMPOUNDS NQO1, TYR, ABCG2 MEN1 2631/4885KMT2A 1710/4885HTT 439/4885
US-10730838-B2 Green preparation method for quinoline compounds NQO1, TYR, ABCG2 MEN1 2631/4885KMT2A 1710/4885HTT 439/4885

“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.