SCHEMBL21187506

SCHEMBL21187506

COc1cc(F)c(-c2c(C)cccc2N)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CD44 P16070 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ ACHE P22303 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 2/20 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
SCHEMBL22598809 0.75 HDAC1 (0.37) HDAC1ALDH1A1FFAR1KDM4EMEN1
SCHEMBL30839716 0.74 CD44 (0.65) ALDH1A1CYP3A4CD44ACHEKDM4E
SCHEMBL3462069 0.74 CD44 (0.65) ALDH1A1CYP3A4CD44ACHEKDM4E
SCHEMBL9679255 0.73 SYK (0.48) ALDH1A1CYP3A4CD44KDM4EMEN1
SCHEMBL30610429 0.73 SYK (0.48) ALDH1A1CYP3A4CD44KDM4EMEN1
SCHEMBL26505788 0.72 CD44 (0.62) ALDH1A1CYP3A4CD44ACHEKDM4E
SCHEMBL2712308 0.72 TAAR1 (0.42) TAAR1ALDH1A1CYP3A4ACHEKDM4E
SCHEMBL24158420 0.71 HDAC1 (0.35) HDAC1ALDH1A1FFAR1KDM4EMEN1
SCHEMBL13618613 0.70 ACHE (0.52) ALDH1A1CYP3A4FFAR1ACHEKDM4E
SCHEMBL25577343 0.70 CYP3A4 (0.46) ALDH1A1CYP3A4FFAR1ACHECYP1A2

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
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — WO 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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 HDAC1 593/4885TAAR1 2731/4885ALDH1A1 506/4885

“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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