SCHEMBL21919085

SCHEMBL21919085

N=C(CCC1CC1)c1ccc(C(N)=O)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
PARP15 Q460N3 3/20 0.39
PARP10 Q53GL7 3/20 0.39
PARP2 Q9UGN5 2/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
VNN1 O95497 2/20 0.36
GSK3B P49841 1/20 0.36
DGAT1 O75907 1/20 0.36
P4HA1 P13674 1/20 0.36
MIF P14174 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NNMT P40261 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL17064469 0.86 KMT2A (0.43) KMT2APARP15PARP10PARP2CYP2C9
SCHEMBL23429117 0.83 KMT2A (0.41) KMT2APARP15PARP10PARP2CYP2C9
SCHEMBL18605080 0.74 CYP2C9 (0.34) KMT2APARP15PARP10PARP2CYP2C9
SCHEMBL31067506 0.74 CYP2C9 (0.34) KMT2APARP15PARP10PARP2CYP2C9
SCHEMBL18623215 0.74 CYP2C9 (0.34) KMT2APARP15PARP10PARP2CYP2C9
SCHEMBL18605082 0.74 CYP2C9 (0.34) KMT2APARP15PARP10PARP2CYP2C9
SCHEMBL18605083 0.74 CYP2C9 (0.34) KMT2APARP15PARP10PARP2CYP2C9
SCHEMBL978974 0.71 NNMT (0.63) KMT2AVNN1P4HA1MIFP4HTM
SCHEMBL27975171 0.70 VNN1 (0.44) KMT2APARP15PARP10PARP2VNN1
Hydrochloric Acid SCHEMBL6485765 0.69 NNMT (0.61) KMT2AVNN1P4HA1MIFP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685721-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-06-27 US disclosed
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-02-23 US disclosed
US-11192861-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-12-07 US disclosed
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-02-18 US disclosed
US-10633345-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-04-28 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 (5 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-11192861-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KMT2A 1581/4885PARP15 620/4885PARP10 1151/4885
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KMT2A 1581/4885PARP15 620/4885PARP10 1151/4885
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KMT2A 1644/4885PARP15 612/4885PARP10 1131/4885
US-10633345-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KMT2A 2113/4885PARP15 1031/4885PARP10 1305/4885
US-11685721-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KMT2A 1644/4885PARP15 612/4885PARP10 1131/4885

“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.