SCHEMBL22016195

SCHEMBL22016195

CC(C)(C)c1ccc2n(c1=O)CCC2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
BCHE P06276 1/20 0.32
CFTR P13569 1/20 0.32
ALOX15 P16050 1/20 0.32
ACHE P22303 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GOPC Q9HD26 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
YEATS4 O95619 1/20 0.32

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
SCHEMBL18152630 0.76 ALDH1A1 (0.38) SMN1; SMN2KDM4EUSP2ALDH1A1CYP1A2
SCHEMBL29200211 0.73 KDM4E (0.35) SMN1; SMN2KDM4EUSP2ALDH1A1CYP1A2
SCHEMBL22017086 0.73 ALOX5 (0.38) SMN1; SMN2KDM4EUSP2ALDH1A1CYP1A2
SCHEMBL15742528 0.72 ALDH1A1 (0.34) SMN1; SMN2KDM4EUSP2ALDH1A1CYP1A2
SCHEMBL22016184 0.71 TLR8 (0.32) SMN1; SMN2KDM4EUSP2ALDH1A1CYP1A2
SCHEMBL9665568 0.71 ALDH1A1 (0.35) SMN1; SMN2KDM4EUSP2ALDH1A1CYP1A2
SCHEMBL29161593 0.70 ALDH1A1 (0.38) SMN1; SMN2KDM4EUSP2ALDH1A1HSD17B10
SCHEMBL12857421 0.70 HPGD (0.34) SMN1; SMN2ALDH1A1
SCHEMBL29161623 0.69 ALDH1A1 (0.40) SMN1; SMN2KDM4EUSP2ALDH1A1HSD17B10
SCHEMBL23900704 0.68 KDM4E (0.36) KDM4EUSP2ALDH1A1CYP1A2BCHE

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 5 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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 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 (5 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 SMN1; SMN2 1294/4885KDM4E 2522/4885USP2 2720/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 SMN1; SMN2 1294/4885KDM4E 2522/4885USP2 2720/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B SMN1; SMN2 3146/4885KDM4E 1390/4885USP2 4264/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR SMN1; SMN2 423/4885KDM4E 2655/4885USP2 4232/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 SMN1; SMN2 1294/4885KDM4E 2522/4885USP2 2720/4885

“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.