SCHEMBL22481391

SCHEMBL22481391

CCC(O)c1ccc(C#N)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 8/20 0.43
KCNH2 Q12809 1/20 0.43
HSD11B1 P28845 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
CYP2A6 P11509 1/20 0.38
APLNR P35414 1/20 0.36
S1PR3 Q99500 1/20 0.36
CYP19A1 P11511 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL14814851 0.87 HSD11B1 (0.50) HSD11B1ALDH1A1GRIN1GRIN2BHPGD
SCHEMBL30085323 0.84 KCNJ1 (0.40) KCNJ1KCNH2KDM4EALDH1A1L3MBTL1
SCHEMBL20470405 0.84 KCNJ1 (0.40) KCNJ1KCNH2KDM4EALDH1A1L3MBTL1
SCHEMBL15466330 0.84 KCNJ1 (0.40) KCNJ1KCNH2KDM4EALDH1A1L3MBTL1
SCHEMBL16311933 0.82 ALDH1A1 (0.41) KCNJ1KCNH2KDM4EALDH1A1L3MBTL1
SCHEMBL22481395 0.81 ALDH1A1 (0.43) KCNJ1KCNH2HSD11B1KDM4EALDH1A1
SCHEMBL22481142 0.80 HIF1A (0.47) KCNJ1KCNH2
SCHEMBL22481210 0.80 HIF1A (0.47) KCNJ1KCNH2
SCHEMBL28686674 0.80 HIF1A (0.47) KCNJ1KCNH2
SCHEMBL19003579 0.78 KDM4E (0.40) KCNJ1KCNH2KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332459-B2 Benzimidazole derivatives and their uses TEIJIN PHARMA LIMITED (JP) 2022-05-17 US disclosed
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2020-10-01 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 (2 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-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES TRPC6, TRPV6, TRPM6 KCNJ1 24/4885KCNH2 48/4885HSD11B1 4462/4885
US-11332459-B2 Benzimidazole derivatives and their uses TRPC6, TRPV6, TRPM6 KCNJ1 24/4885KCNH2 48/4885HSD11B1 4462/4885

“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.