SCHEMBL6801996

SCHEMBL6801996

NC(=O)c1nc(C(Cc2ccccc2)C(O)C(N)=O)cn1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ADRA1D P25100 4/20 0.38
PLA2G2A P14555 1/20 0.37
PARP1 P09874 1/20 0.37
BRD4 O60885 2/20 0.37
EPHX1 P07099 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 1/20 0.35
PYGL P06737 1/20 0.35
LAP3 P28838 2/20 0.34
ANPEP P15144 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL6802004 1.00 CCNC (0.39) CCNCCDK8ADRA1DPLA2G2APARP1
SCHEMBL8521596 0.67 EPHX1 (0.45) ADRA1DEPHX1PKMALDH1A1POLB
SCHEMBL2972631 0.66 ADRA1D (0.46) CCNCCDK8ADRA1DPLA2G2APARP1
SCHEMBL6800202 0.65 ADRA1D (0.41) CCNCCDK8ADRA1DPARP1BRD4
SCHEMBL8578374 0.65 EPHX1 (0.56) EPHX1PKMALDH1A1POLBL3MBTL1
SCHEMBL6942632 0.64 EPHX1 (0.49) PLA2G2APARP1EPHX1PKMTSHR
SCHEMBL28710551 0.64 NOTUM (0.50) BRD4GAAPKMTSHRPOLB
SCHEMBL3313595 0.64 ALDH1A1 (0.59) CCNCCDK8ADRA1DALDH1A1SMN1; SMN2
SCHEMBL4619659 0.64 SLC15A1 (0.56) EPHX1PKMALDH1A1POLBL3MBTL1
SCHEMBL6342154 0.64 SLC15A1 (0.56) EPHX1PKMALDH1A1POLBL3MBTL1

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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2004-05-20 US disclosed
US-6630493-B1 Inhibitors of capain enzymes useful for the treatment of ischemias of the heart, the kidney or of central nervous system (e.g. \"stroke\"), inflammations, muscular dystrophy, cataracts of the eyes, Alzheimer's disease etc. BASF AKTIENGESELLSCHAFT (DE) 2003-10-07 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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 CCNC 1638/4885CDK8 770/4885ADRA1D 1736/4885

“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.