SCHEMBL22016884

SCHEMBL22016884

CCc1c(N2CCC2)cc(C)n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.34
DAO P14920 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GRM1 Q13255 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
BRPF1 P55201 2/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33

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
SCHEMBL21957177 0.77 MAPT (0.38) KMT2AMEN1ALDH1A1LMNADAO
SCHEMBL22016206 0.74 BRPF1 (0.34) KMT2AMEN1ALDH1A1LMNADAO
SCHEMBL22017507 0.73 KDM4E (0.40) ALDH1A1LMNASMN1; SMN2L3MBTL1GLA
SCHEMBL22016881 0.68 PDE3B (0.45) ALDH1A1
SCHEMBL21957015 0.67 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL20051827 0.67 ITGB1 (0.37) ALDH1A1HTR2AHTR2CKDM4EHPGD
SCHEMBL24202815 0.65 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL15647981 0.61 KDM4E (0.39) ALDH1A1LMNASMN1; SMN2L3MBTL1GLA
SCHEMBL19170717 0.61 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL31052711 0.60 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (3 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KMT2A 2755/4885MEN1 2786/4885ALDH1A1 476/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KMT2A 2755/4885MEN1 2786/4885ALDH1A1 476/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KMT2A 2755/4885MEN1 2786/4885ALDH1A1 476/4885

“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.