SCHEMBL29380102

SCHEMBL29380102

OCc1cc(N2CCOCC2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
PIK3CA P42336 4/20 0.43
PLOD2 O00469 2/20 0.43
PLOD3 O60568 2/20 0.43
PLOD1 Q02809 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
KMO O15229 1/20 0.42
LMNA P02545 1/20 0.42
LGMN Q99538 1/20 0.41
PRKDC P78527 3/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 1/20 0.41
HDAC1 Q13547 1/20 0.41
CFTR P13569 1/20 0.40
AGXT P21549 1/20 0.40
CTSA P10619 1/20 0.40
GSK3B P49841 1/20 0.40
CHEK1 O14757 1/20 0.39

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
SCHEMBL10885415 1.00 CDK1 (0.45) CDK1CDK2PIK3CAPLOD2PLOD3
SCHEMBL16841256 0.84 PIK3CA (0.43) CDK1CDK2PIK3CAPLOD2PLOD3
SCHEMBL19996086 0.83 HRH4 (0.50) LMNA
Valine SCHEMBL20917662 0.83 LNPEP (0.46) PIK3CAPLOD2PLOD3PLOD1IRAK4
Hydrochloric Acid SCHEMBL10884120 0.83 CDK1 (0.41) CDK1CDK2PIK3CAPLOD2PLOD3
SCHEMBL5728966 0.79 LNPEP (0.41) IRAK4LMNA
SCHEMBL29979620 0.77 PIK3CA (0.56) PIK3CAPLOD2PLOD3PLOD1KMO
SCHEMBL28899916 0.77 PIK3CA (0.56) PIK3CAPLOD2PLOD3PLOD1KMO
SCHEMBL6637831 0.76 NCF1 (0.49)
SCHEMBL27936855 0.76 LRRK2 (0.59) CDK1CDK2PIK3CAKMOLMNA

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
CN-111655677-B Benzimidazole compounds as agrochemicals 瑞戴格作物保护公司 2024-05-03 CN disclosed
EP-3697771-B1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2022-04-06 EP disclosed
US-11241013-B2 Benzimidazole compounds as agricultural chemicals REDAG CROP PROT LTD (GB) 2022-02-08 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-11241013-B2 Benzimidazole compounds as agricultural chemicals CYP3A4, CYP2C8, CYP2E1 CDK1 532/4885CDK2 384/4885PIK3CA 1214/4885

“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.