SCHEMBL6426324

SCHEMBL6426324

COc1c(C(=O)O)ccc2c1c(C=Cc1ccc(F)cc1)nn2C(C(N)=O)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.33
ENPP2 Q13822 1/20 0.33
MMP1 P03956 1/20 0.33
PTGS2 P35354 1/20 0.33
NFE2L2 Q16236 3/20 0.33
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NQO2 P16083 1/20 0.31
NOTUM Q6P988 1/20 0.31
PPARA Q07869 1/20 0.31
RET P07949 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6427278 0.93 MAOA (0.32) CTSLENPP2MMP1PTGS2NFE2L2
SCHEMBL6426052 0.93 NPC1 (0.32) CTSLENPP2MMP1PTGS2NPC1
SCHEMBL6427406 0.88 ENPP2 (0.33) CTSLENPP2MMP1PTGS2NFE2L2
SCHEMBL6428655 0.87 TUBB4A (0.32) CTSLENPP2PTGS2
SCHEMBL6425946 0.87 ENPP2 (0.33) CTSLENPP2MMP1PTGS2NFE2L2
SCHEMBL6427836 0.85 ENPP2 (0.32) CTSLENPP2MMP1PTGS2
SCHEMBL6428560 0.85 ENPP2 (0.32) CTSLENPP2MMP1PTGS2
SCHEMBL6426373 0.84 TUBB4A (0.32) NFE2L2NPC1RAB9AKDM4EMEN1
SCHEMBL6426258 0.84 RECQL (0.31) NFE2L2
SCHEMBL6425803 0.84 ENPP2 (0.32) ENPP2MMP1NFE2L2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CTSL 4660/4885ENPP2 3605/4885MMP1 3334/4885

“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.