SCHEMBL22016920

SCHEMBL22016920

CC(C)(C)CC(=O)CN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CES1 P23141 3/20 0.35

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
SCHEMBL18931501 0.76 CYP1A2 (0.43) HSD17B10CYP1A2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL8250205 0.76 CYP1A2 (0.55) HSD17B10CYP1A2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL693428 0.75 HSD17B10 (0.64) HSD17B10CYP1A2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL17003209 0.75 HSD17B10 (0.64) HSD17B10CYP1A2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL240725 0.75 AAK1 (0.48) HSD17B10CYP1A2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL20878760 0.73 KMT2A (0.59) CYP1A2CYP2D6ALDH1A1SMN1; SMN2RAB9A
SCHEMBL5998675 0.72 L3MBTL1 (0.48) HSD17B10CYP1A2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL478673 0.71 TSHR (0.48) HSD17B10CYP1A2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL3242580 0.71 MAPT (0.56) CYP1A2CYP2D6ALDH1A1SMN1; SMN2RAB9A
SCHEMBL27745487 0.71 LMNA (0.54) ALDH1A1SMN1; SMN2RAB9APOLBNPSR1

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 HSD17B10 1037/4885CYP1A2 185/4885CYP2D6 251/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 HSD17B10 1037/4885CYP1A2 185/4885CYP2D6 251/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 HSD17B10 1037/4885CYP1A2 185/4885CYP2D6 251/4885

“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.