SCHEMBL29829993

SCHEMBL29829993

O=C1CNC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
BRPF1 P55201 1/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
TSHR P16473 1/20 0.32
ABL1 P00519 1/20 0.32
LMNA P02545 1/20 0.32
RIN1 Q13671 1/20 0.32
AR P10275 1/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A9 P48067 1/20 0.31

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
SCHEMBL11087105 0.81 GSK3A (0.42) GSK3AGSK3BBRPF1MEN1KMT2A
SCHEMBL2490844 0.75 PARL (0.41) CYP11B1CYP11B2MEN1KMT2ATSHR
SCHEMBL6368612 0.69 MGLL (0.44) GSK3AGSK3BCYP11B1CYP11B2TSHR
SCHEMBL8312129 0.68 ALDH1A1 (0.33) CYP11B1CYP11B2KMT2ACYP1A2CYP2C9
SCHEMBL8590016 0.66 TSHR (0.34) GSK3AGSK3BBRPF1TSHRGAA
SCHEMBL1979214 0.65 MEN1 (0.50) GSK3AGSK3BMEN1KMT2AAR
SCHEMBL6709727 0.65 GSK3A (0.44) GSK3AGSK3BBRPF1MEN1KMT2A
SCHEMBL7921220 0.64 ITGB1 (0.37) CYP11B1CYP11B2MEN1KMT2ACYP3A4
SCHEMBL11495311 0.63 TSHR (0.32) TSHR
SCHEMBL518700 0.62 L3MBTL1 (0.41) CYP11B1CYP11B2MEN1KMT2ACYP3A4

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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
EP-4308564-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
WO-2022197789-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 GSK3A 1637/4885GSK3B 1705/4885BRPF1 2162/4885

“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.