SCHEMBL23618507

SCHEMBL23618507

COC(=O)Cc1ccccc1NC(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL11380819 0.83 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1BLM
SCHEMBL30810419 0.83 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1BLM
SCHEMBL27479366 0.82 CFD (0.54) CFDALDH1A1MAPTKDM4EPOLB
SCHEMBL14592349 0.82 TSHR (0.54) CFDALDH1A1KDM4EPOLBHPGD
SCHEMBL28124394 0.82 HDAC3 (0.61) ALDH1A1MAPTKMT2AMEN1BLM
SCHEMBL10896420 0.80 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1BLM
SCHEMBL2635445 0.78 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AMEN1BLM
SCHEMBL11989069 0.78 KDM4E (0.50) CFDALDH1A1MAPTKMT2AKDM4E
SCHEMBL28252416 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1BLMKDM4E
Ethane SCHEMBL27877979 0.78 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1BLM

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-11241013-B2 Benzimidazole compounds as agricultural chemicals REDAG CROP PROT LTD (GB) 2022-02-08 — — US disclosed
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-07-08 — — 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 (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-11241013-B2 Benzimidazole compounds as agricultural chemicals CYP3A4, CYP2C8, CYP2E1 CFD 4838/4885ALDH1A1 561/4885MAPT 2273/4885
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS CYP3A4, CYP2C8, CYP2E1 CFD 4838/4885ALDH1A1 561/4885MAPT 2273/4885

“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.

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