SCHEMBL30002232

SCHEMBL30002232

CC(C)(C)OC(=O)Nc1cc(CN)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.45
KCNQ5 Q9NR82 3/20 0.45
CYP17A1 P05093 2/20 0.41
P2RX3 P56373 2/20 0.41
BRAF P15056 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.38
CNR2 P34972 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
PLG P00747 1/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
KLK6 Q92876 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL28046953 1.00 KCNQ4 (0.45) KCNQ4KCNQ5CYP17A1P2RX3BRAF
SCHEMBL29468015 0.89 CYP17A1 (0.49) KCNQ4KCNQ5CYP17A1P2RX3RXFP1
SCHEMBL22411865 0.87 KCNQ4 (0.46) KCNQ4KCNQ5CYP17A1P2RX3BRAF
SCHEMBL31172075 0.86 KCNQ4 (0.47) KCNQ4KCNQ5CYP17A1P2RX3BRAF
SCHEMBL22411949 0.86 KCNQ4 (0.47) KCNQ4KCNQ5CYP17A1P2RX3BRAF
SCHEMBL28928511 0.85 LOXL2 (0.44) KCNQ4KCNQ5RAB9ALOXL2HTT
SCHEMBL27915724 0.84 AAK1 (0.46) KCNQ4KCNQ5CYP17A1AAK1NR1H2
SCHEMBL7344988 0.84 AAK1 (0.47) KCNQ4KCNQ5CYP17A1AAK1NR1H2
SCHEMBL1726357 0.84 LMNA (0.51) KCNQ4KCNQ5CYP17A1RXFP1GAA
SCHEMBL4304475 0.83 RAB9A (0.53) KCNQ4KCNQ5RXFP1RAB9ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 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 (1 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-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KCNQ4 3167/4885KCNQ5 2347/4885CYP17A1 121/4885

“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.