SCHEMBL30575282

SCHEMBL30575282

O=C(O)c1nccnc1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.42
ASPH Q12797 2/20 0.42
KDM8 Q8N371 2/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
NAPRT Q6XQN6 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MYC P01106 1/20 0.33

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
SCHEMBL630795 1.00 KDM4E (0.42) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL13697273 0.81 PDE3B (0.35) ALDH1A1
SCHEMBL15145687 0.81 ADORA3 (0.36) ALDH1A1TSHRKMT2A
SCHEMBL12548240 0.78 KDM4E (0.41) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL28285903 0.76 YTHDC1 (0.33) KDM4EMAPTALDH1A1NPSR1L3MBTL1
SCHEMBL69939 0.75 KDM4E (0.54) KDM4EASPHKDM8MAPTALDH1A1
Water SCHEMBL335807 0.73 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL6345905 0.73 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL29113117 0.73 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
Hydrochloric Acid SCHEMBL9356765 0.73 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-14 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-20230286958-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 KDM4E 1074/4885ASPH 939/4885KDM8 229/4885

“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.