SCHEMBL7731268

SCHEMBL7731268

NC[C@@H]1CN[C@@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2cnc3ccc(F)cc3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.39
MASP2 O00187 1/20 0.37
F11 P03951 1/20 0.37
HDAC1 Q13547 2/20 0.36
KLKB1 P03952 2/20 0.36
SCN9A Q15858 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
HDAC4 P56524 1/20 0.35
PSMB5 P28074 1/20 0.35
BDKRB2 P30411 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7731285 1.00 F2 (0.39) F2MASP2F11HDAC1KLKB1
SCHEMBL21523181 1.00 F2 (0.39) F2MASP2F11HDAC1KLKB1
SCHEMBL7729661 1.00 F2 (0.39) F2MASP2F11HDAC1KLKB1
SCHEMBL21436222 1.00 F2 (0.39) F2MASP2F11HDAC1KLKB1
SCHEMBL21436291 0.92 KDM4E (0.43) F2MASP2F11HDAC1SCN9A
SCHEMBL21523166 0.92 KDM4E (0.43) F2MASP2F11HDAC1SCN9A
SCHEMBL7728632 0.92 KDM4E (0.43) F2MASP2F11HDAC1SCN9A
SCHEMBL1245431 0.92 KDM4E (0.43) F2MASP2F11HDAC1SCN9A
SCHEMBL1246412 0.92 KDM4E (0.43) F2MASP2F11HDAC1SCN9A
SCHEMBL7731762 0.91 F2 (0.40) F2MASP2F11HDAC1KLKB1

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 F2 4166/4885MASP2 1439/4885F11 4077/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 F2 4166/4885MASP2 1439/4885F11 4077/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI F2 2844/4885MASP2 3844/4885F11 3221/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX F2 1739/4885MASP2 678/4885F11 3048/4885

“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.