SCHEMBL30824973

SCHEMBL30824973

COC1(CSc2nc3ccccc3s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.56
CYP2D6 P10635 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C19 P33261 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
MAPT P10636 4/20 0.55
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
RECQL P46063 1/20 0.54
CYP2C9 P11712 1/20 0.51
STAT6 P42226 1/20 0.51
HTR1A P08908 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51
ALDH1A1 P00352 9/20 0.51
HPGD P15428 4/20 0.51
ALOX5 P09917 1/20 0.50
HSD17B10 Q99714 4/20 0.49

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
SCHEMBL21885818 0.83 CYP1A2 (0.52) CYP1A2CYP2D6CYP3A4CYP2C19L3MBTL1
SCHEMBL21826862 0.76 CYP1A2 (0.48) CYP1A2CYP2D6CYP3A4CYP2C19L3MBTL1
SCHEMBL21826865 0.76 CYP1A2 (0.48) CYP1A2CYP2D6CYP3A4CYP2C19L3MBTL1
SCHEMBL774785 0.74 CYP1A2 (0.73) CYP1A2CYP2D6CYP3A4CYP2C19L3MBTL1
SCHEMBL29138950 0.74 CYP1A2 (0.73) CYP1A2CYP2D6CYP3A4CYP2C19L3MBTL1
SCHEMBL5837665 0.73 CYP1A2 (1.00) CYP1A2CYP2D6CYP3A4CYP2C19L3MBTL1
SCHEMBL10759434 0.73 ALDH1A1 (0.74) MAPK1MAPTPOLBAPEX1RECQL
SCHEMBL7796151 0.72 CYP1A2 (0.65) CYP1A2CYP2D6CYP3A4CYP2C19L3MBTL1
SCHEMBL9353698 0.72 MAPT (0.67) CYP1A2CYP2D6CYP3A4CYP2C19L3MBTL1
SCHEMBL9353714 0.72 PTGS2 (0.65) CYP1A2CYP2D6CYP3A4CYP2C19L3MBTL1

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-20250099478-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-03-27 US disclosed
CN-118613483-A Plasma kallikrein inhibitors 默沙东有限责任公司 2024-09-06 CN disclosed
WO-2023146809-A9 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-03-14 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-20250099478-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 CYP1A2 2669/4885CYP2D6 3240/4885CYP3A4 2535/4885

“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.