SCHEMBL22646239

SCHEMBL22646239

COC(=O)C(C)Cc1cnc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.53
HRH4 Q9H3N8 5/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
LMNA P02545 1/20 0.51
APEX1 P27695 1/20 0.51
BLM P54132 1/20 0.51
CYP3A4 P08684 1/20 0.51
SLC7A5 Q01650 1/20 0.51
QPCT Q16769 1/20 0.46
QPCTL Q9NXS2 1/20 0.46

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
SCHEMBL16676578 0.86 HRH3 (0.51) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL5692250 0.84 CYP3A4 (0.51) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL4425225 0.83 CYP3A4 (0.50) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL1581156 0.83 CYP3A4 (0.67) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL3846866 0.83 CYP3A4 (0.67) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL4422581 0.83 CYP3A4 (0.50) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL262239 0.83 CYP3A4 (0.67) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL23513654 0.82 HRH3 (0.47) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL20093553 0.82 HRH3 (0.47) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL14279284 0.81 ALDH1A1 (0.58) HRH3HRH4ALDH1A1MEN1GLA

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-20230150989-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-05-18 US disclosed
US-11332461-B2 2-(1H-pyrazol-3-yl) phenol compound and use thereof BEIJING JIALIN PHARMACEUTICAL INC. (CN) 2022-05-17 US disclosed
US-20200354342-A1 2-(1H-PYRAZOL-3-YL) PHENOL COMPOUND AND USE THEREOF BEIJING JIALIN PHARMACEUTICAL INC. (CN) 2020-11-12 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 (3 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-11332461-B2 2-(1H-pyrazol-3-yl) phenol compound and use thereof VHL, PAH, TP53 HRH3 4304/4885HRH4 4206/4885ALDH1A1 456/4885
US-20200354342-A1 2-(1H-PYRAZOL-3-YL) PHENOL COMPOUND AND USE THEREOF VHL, PAH, TP53 HRH3 4304/4885HRH4 4206/4885ALDH1A1 456/4885
US-20230150989-A1 HERBICIDAL MALONAMIDES DDT, DHRS9, CA9 HRH3 199/4885HRH4 331/4885ALDH1A1 475/4885

“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.