SCHEMBL6916168

SCHEMBL6916168

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3ccncn3)sc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.42
HIF1A Q16665 1/20 0.41
MMP13 P45452 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL6256050 0.88 TRPA1 (0.49) TRPA1HIF1AMMP13MEN1KMT2A
SCHEMBL6472710 0.88 TRPA1 (0.49) TRPA1HIF1AMMP13MEN1KMT2A
SCHEMBL6252686 0.86 MMP13 (0.53) TRPA1MMP13MEN1KMT2AKDM4E
SCHEMBL6445993 0.85 HIF1A (0.53) TRPA1HIF1AMMP13MEN1KMT2A
SCHEMBL6451379 0.84 TRPA1 (0.43) TRPA1HIF1AMMP13MEN1KMT2A
SCHEMBL6732828 0.83 MEN1 (0.42) TRPA1HIF1AMMP13MEN1KMT2A
SCHEMBL6731157 0.83 TRPA1 (0.47) TRPA1MMP13MEN1KMT2AKDM4E
SCHEMBL6255943 0.83 HIF1A (0.48) TRPA1HIF1AMMP13KMT2AKDM4E
SCHEMBL6725010 0.83 TRPA1 (0.47) TRPA1HIF1AMMP13MEN1KMT2A
SCHEMBL6724916 0.82 KDM4E (0.43) TRPA1MMP13MEN1KMT2AKDM4E

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-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 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-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 671/4885HIF1A 2939/4885MMP13 1/4885

“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.