SCHEMBL22481395

SCHEMBL22481395

CC(O)c1ccc(C#N)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PANK3 Q9H999 5/20 0.39
HSD11B1 P28845 3/20 0.38
CYP19A1 P11511 1/20 0.38
S1PR3 Q99500 3/20 0.38
KCNJ1 P48048 3/20 0.37
KCNH2 Q12809 1/20 0.37
S1PR1 P21453 2/20 0.36
CYP2A6 P11509 2/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 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
SCHEMBL2737290 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1PANK3HSD11B1
SCHEMBL22481391 0.81 KCNJ1 (0.43) ALDH1A1KDM4EL3MBTL1HSD11B1CYP19A1
SCHEMBL20447636 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1PANK3CYP19A1
SCHEMBL18175040 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1PANK3CYP19A1
SCHEMBL15486717 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1PANK3CYP19A1
SCHEMBL20447635 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1PANK3CYP19A1
SCHEMBL22538435 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1PANK3CYP19A1
SCHEMBL19574036 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1PANK3CYP19A1
SCHEMBL29872319 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1PANK3CYP19A1
SCHEMBL18558296 0.80 KDM4E (0.40) ALDH1A1KDM4EL3MBTL1PANK3CYP19A1

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-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
CN-102459216-A Inhibitors of renal outer medullary potassium channels MERCK SHARP & DO 2012-05-16 CN 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 ALDH1A1 1564/4885KDM4E 2263/4885L3MBTL1 4611/4885
US-11332459-B2 Benzimidazole derivatives and their uses TRPC6, TRPV6, TRPM6 ALDH1A1 1564/4885KDM4E 2263/4885L3MBTL1 4611/4885

“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.