SCHEMBL6765997

SCHEMBL6765997

CCN(C(=O)CCc1ccc(C(=N)N)cc1)c1ccc(N(CC(=O)O)S(=O)(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.48
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
MLYCD O95822 1/20 0.40
MAPT P10636 1/20 0.38
SLC16A3 O15427 1/20 0.38
OXTR P30559 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL6574331 0.91 F2 (0.42) F2KEAP1NFE2L2MLYCDOXTR
SCHEMBL6571764 0.77 HCRTR2 (0.43) KEAP1NFE2L2MLYCDOXTR
Hydrochloric Acid SCHEMBL7354708 0.77 F2 (0.48) F2KEAP1NFE2L2OXTRPRSS1
SCHEMBL6978671 0.75 F2 (0.46) F2KEAP1NFE2L2
SCHEMBL6765970 0.74 F2 (0.47) F2KEAP1NFE2L2PRSS1PRSS2
SCHEMBL6978680 0.72 KEAP1 (0.47) F2KEAP1NFE2L2SLC16A3PRSS1
Hydrochloric Acid SCHEMBL7351983 0.70 F2 (0.48) F2KEAP1NFE2L2OXTR
Hydrochloric Acid SCHEMBL6979622 0.70 F2 (0.39) F2PRSS1
SCHEMBL6570643 0.68 F2 (0.45) F2PRSS1PRSS2PRSS3
SCHEMBL7956920 0.68 F2 (0.46) F2KEAP1NFE2L2

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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 F2 612/4885KEAP1 3010/4885NFE2L2 3634/4885

“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.