SCHEMBL18604609

SCHEMBL18604609

CCCOc1ccc(CO)cc1-c1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CSNK2A1 P68400 2/20 0.41
TLR8 Q9NR97 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39

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
SCHEMBL30279574 0.82 HTR7 (0.51) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL30279504 0.82 PTGER1 (0.46) TP53MAPTHTTCYP2C9PTGER1
SCHEMBL11790621 0.81 MAPT (0.62) TP53MEN1KMT2AALDH1A1MAPT
SCHEMBL3784586 0.77 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL7038976 0.75 MAPT (0.49) TP53MEN1KMT2AALDH1A1MAPT
SCHEMBL3792925 0.73 ALDH1A1 (0.52) ALDH1A1CASP1CASP7TTRL3MBTL1
SCHEMBL3718915 0.72 HPGD (0.49) TP53MEN1KMT2AALDH1A1MAPT
SCHEMBL11874501 0.72 TTR (0.53) TP53MEN1KMT2AALDH1A1MAPT
SCHEMBL579301 0.71 NPC1 (0.55) KDM4EPOLBHTTHSD17B10
SCHEMBL3718885 0.71 CSNK2A1 (0.71) TP53MEN1KMT2AMAPTHTT

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-10125102-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2018-11-13 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 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-10125102-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 TP53 4387/4885MEN1 519/4885KMT2A 2113/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 TP53 4387/4885MEN1 519/4885KMT2A 2113/4885

“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.