SCHEMBL7723535

SCHEMBL7723535

NCC(=O)N[C@H]1CN[C@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2cc(Cl)ccc2O)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
MASP2 O00187 8/20 0.41
F2 P00734 2/20 0.41
POLB P06746 1/20 0.36
PADI4 Q9UM07 1/20 0.35
PADI2 Q9Y2J8 1/20 0.35
KCNMA1 Q12791 1/20 0.35
CTSC P53634 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PSMB5 P28074 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL7723544 1.00 ALOX15 (0.44) ALOX15MAPK1MASP2F2POLB
SCHEMBL21523180 1.00 ALOX15 (0.44) ALOX15MAPK1MASP2F2POLB
SCHEMBL7722218 0.91 MMP8 (0.37) MASP2F2PADI4PADI2KCNMA1
SCHEMBL21436233 0.91 MMP8 (0.37) MASP2F2PADI4PADI2KCNMA1
SCHEMBL21436517 0.88 F2 (0.36) MASP2F2PADI4PADI2CTSC
SCHEMBL7722316 0.88 F2 (0.36) MASP2F2PADI4PADI2CTSC
SCHEMBL21436585 0.87 ALOX15 (0.45) ALOX15MAPK1MASP2F2PADI4
SCHEMBL7733115 0.87 ALOX15 (0.45) ALOX15MAPK1MASP2F2PADI4
SCHEMBL7721710 0.87 ALOX15 (0.45) ALOX15MAPK1MASP2F2PADI4
SCHEMBL7733101 0.87 ALOX15 (0.45) ALOX15MAPK1MASP2F2PADI4

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 5 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-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2021-05-13 US disclosed
US-20200268693-A1 METHODS FOR TREATING DISEASES OR INFECTIONS CAUSED BY OR ASSOCIATED WITH H. PYLORI USING A HALOGENATED SALICYLANILIDE RHODE ISLAND HOSPITAL 2020-08-27 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 (4 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-20200268693-A1 METHODS FOR TREATING DISEASES OR INFECTIONS CAUSED BY OR ASSOCIATED WITH H. PYLORI USING A HALOGENATED SALICYLANILIDE MALT1, SI, BCL6 ALOX15 215/4885MAPK1 3925/4885MASP2 1439/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 ALOX15 215/4885MAPK1 3925/4885MASP2 1439/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI ALOX15 1068/4885MAPK1 3049/4885MASP2 3844/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX ALOX15 576/4885MAPK1 2319/4885MASP2 678/4885

“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.