SCHEMBL22277253

SCHEMBL22277253

CNC(=O)C(Cc1c[nH]c2ccccc12)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
APAF1 O14727 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
RECQL P46063 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MMP9 P14780 7/20 0.58
MMP8 P22894 7/20 0.58
MMP1 P03956 3/20 0.58
MMP3 P08254 2/20 0.58
ECE1 P42892 2/20 0.57
MMP2 P08253 7/20 0.57
ACE P12821 2/20 0.56
CTSC P53634 1/20 0.56
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55

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
SCHEMBL20713624 0.86 POLB (0.72) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL14565344 0.85 KDM4E (0.74) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL22600369 0.84 KDM4E (0.60) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL12868909 0.84 KDM4E (0.60) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL25766157 0.83 KDM4E (0.63) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL631048 0.82 KDM4E (0.70) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL6577399 0.82 MMP9 (0.66) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL29850214 0.82 KDM4E (0.70) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL16182036 0.82 MMP9 (0.66) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL876693 0.82 KDM4E (0.70) KDM4EAPAF1POLBMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 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 (2 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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 KDM4E 1766/4885APAF1 498/4885POLB 3451/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KDM4E 1766/4885APAF1 498/4885POLB 3451/4885

“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.