SCHEMBL6806101

SCHEMBL6806101

O=C(O)c1cccnc1C=Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NAPRT Q6XQN6 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
MYC P01106 1/20 0.43
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL6806097 1.00 KDM4E (0.49) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL1905604 0.90 KDM4E (0.52) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL1905601 0.90 KDM4E (0.52) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL6386359 0.84 NAPRT (0.51) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL10414535 0.84 FGF23 (0.56) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL10414536 0.84 FGF23 (0.56) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL6386356 0.84 NAPRT (0.51) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL9000477 0.83 KDM4E (0.55) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL4061680 0.81 NPC1 (0.54) KDM4EALDH1A1CYP3A4MAPTNPSR1
SCHEMBL4061684 0.81 NPC1 (0.54) KDM4EALDH1A1CYP3A4MAPTNPSR1

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-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
CN-1301255-A Heterocyclically substituted amides, their production and their use BASF AG (DE) 2001-06-27 CN 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 KDM4E 2900/4885TDP1 740/4885ALDH1A1 3161/4885

“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.