SCHEMBL22016864

SCHEMBL22016864

COc1cnn(C)c(=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD9 Q9H8M2 5/20 0.41
BRD4 O60885 3/20 0.41
ATM Q13315 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KAT2B Q92831 2/20 0.38
ITGA4 P13612 3/20 0.38
ITGB7 P26010 3/20 0.38
S100B P04271 1/20 0.34

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
SCHEMBL4498149 0.78 RAB9A (0.55) ALDH1A1RAB9AL3MBTL1SMN1; SMN2BRD9
SCHEMBL466352 0.78 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2BRD9BRD4
SCHEMBL22031949 0.76 KAT2B (0.39) ALDH1A1RAB9AL3MBTL1SMN1; SMN2BRD9
SCHEMBL3055509 0.76 ALDH1A1 (0.36) ALDH1A1RAB9AL3MBTL1SMN1; SMN2BRD9
SCHEMBL22016782 0.76 ITGA4 (0.38) ALDH1A1RAB9AL3MBTL1SMN1; SMN2BRD9
SCHEMBL20956636 0.74 CA12 (0.43) ALDH1A1L3MBTL1KDM4EHTTITGA4
SCHEMBL509614 0.74 CRHR1 (0.41) ALDH1A1RAB9AL3MBTL1SMN1; SMN2ITGA4
SCHEMBL8280366 0.74 ITGA4 (0.54) ALDH1A1RAB9AL3MBTL1SMN1; SMN2ITGA4
SCHEMBL4296086 0.74 BRD4 (0.38) ALDH1A1L3MBTL1BRD9BRD4ATM
SCHEMBL12497715 0.74 BRD4 (0.46) ALDH1A1SMN1; SMN2BRD9BRD4HPGD

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 4 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-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 (4 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 ALDH1A1 476/4885RAB9A 271/4885L3MBTL1 4861/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ALDH1A1 476/4885RAB9A 271/4885L3MBTL1 4861/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ALDH1A1 838/4885RAB9A 247/4885L3MBTL1 4535/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ALDH1A1 476/4885RAB9A 271/4885L3MBTL1 4861/4885

“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.