SCHEMBL22016560

SCHEMBL22016560

CN(C)c1ccc2c(c1)c(C(F)(F)F)c(I)c(=O)n2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 3/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PGR P06401 1/20 0.35
NR1H3 Q13133 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
USP2 O75604 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
SCHEMBL21977663 0.82 ATM (0.40) ARALDH1A1KDM4EHSD17B10HPGD
SCHEMBL26815145 0.82 AR (0.39) ARALDH1A1KDM4EHSD17B10HPGD
SCHEMBL21979262 0.81 PGR (0.36) ALDH1A1KDM4EMAPTSMN1; SMN2PGR
SCHEMBL21957400 0.77 KIF11 (0.44) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL30901248 0.77 KIF11 (0.44) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL21957305 0.74 AR (0.54) ARALDH1A1KDM4EHSD17B10HPGD
SCHEMBL26817066 0.71 ALDH1A1 (0.46) ARALDH1A1KDM4EHSD17B10HPGD
SCHEMBL21979038 0.70 PGR (0.46) ALDH1A1HSD17B10HPGDMAPTPGR
SCHEMBL30901347 0.70 PGR (0.46) ALDH1A1HSD17B10HPGDMAPTPGR
SCHEMBL24312051 0.70 KDM4E (0.57) ALDH1A1KDM4EHSD17B10HPGDMAPT

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 AR 3803/4885ALDH1A1 476/4885KDM4E 2522/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AR 3803/4885ALDH1A1 476/4885KDM4E 2522/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 AR 3803/4885ALDH1A1 476/4885KDM4E 2522/4885

“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.