SCHEMBL7726703

SCHEMBL7726703

CCc1ccc2ncc(NC(=O)[C@@H](CCc3ccccc3)NC(=O)[C@@H]3C[C@@H](NC(=O)CN)CN3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.37
HDAC1 Q13547 3/20 0.35
TRPV1 Q8NER1 3/20 0.35
MASP2 O00187 4/20 0.35
HDAC4 P56524 2/20 0.34
F2 P00734 5/20 0.34
NFKB1 P19838 1/20 0.34
PSMB5 P28074 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL21523168 1.00 BDKRB2 (0.37) BDKRB2HDAC1TRPV1MASP2HDAC4
SCHEMBL21436252 0.91 BDKRB2 (0.41) BDKRB2HDAC1TRPV1HDAC4NFKB1
SCHEMBL7722245 0.91 BDKRB2 (0.41) BDKRB2HDAC1TRPV1HDAC4NFKB1
SCHEMBL21436267 0.91 BDKRB2 (0.41) BDKRB2HDAC1TRPV1HDAC4NFKB1
SCHEMBL7727989 0.91 BDKRB2 (0.41) BDKRB2HDAC1TRPV1HDAC4NFKB1
SCHEMBL7728845 0.91 BDKRB2 (0.41) BDKRB2HDAC1TRPV1HDAC4NFKB1
Hydrochloric Acid SCHEMBL7728600 0.91 HDAC1 (0.42) BDKRB2HDAC1TRPV1HDAC4NFKB1
SCHEMBL21436298 0.90 F2 (0.36) BDKRB2HDAC1MASP2HDAC4F2
SCHEMBL7734240 0.90 F2 (0.36) BDKRB2HDAC1MASP2HDAC4F2
SCHEMBL7731757 0.88 F2 (0.40) BDKRB2HDAC1TRPV1MASP2HDAC4

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-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide RHODE ISLAND HOSPITAL (US) 2022-08-23 US disclosed
US-20190328687-A1 Antibacterial Compounds VICTORIA LINK LIMITED (NZ) 2019-10-31 US disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 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 (2 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-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 BDKRB2 3681/4885HDAC1 474/4885TRPV1 2809/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX BDKRB2 3379/4885HDAC1 430/4885TRPV1 825/4885

“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.