SCHEMBL7730709

SCHEMBL7730709

NCC(=O)N[C@H]1CN[C@H](C(=O)N[C@H](CCc2ccccc2)c2nc3ccccc3s2)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR1 P32246 1/20 0.36
CCR3 P51677 1/20 0.36
F2 P00734 2/20 0.35
NFKB1 P19838 1/20 0.34
CSNK1D P48730 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSC P53634 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
YEATS4 O95619 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
MASP2 O00187 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
SCHEMBL21436255 1.00 MEN1 (0.37) MEN1KMT2ACCR1CCR3F2
SCHEMBL21523172 1.00 MEN1 (0.37) MEN1KMT2ACCR1CCR3F2
SCHEMBL21436254 1.00 MEN1 (0.37) MEN1KMT2ACCR1CCR3F2
SCHEMBL7733118 0.82 CTSS (0.41) MEN1KMT2AF2CTSCMASP2
SCHEMBL7733530 0.82 CTSS (0.41) MEN1KMT2AF2CTSCMASP2
SCHEMBL7733537 0.82 CTSS (0.41) MEN1KMT2AF2CTSCMASP2
SCHEMBL7733137 0.82 CTSS (0.41) MEN1KMT2AF2CTSCMASP2
SCHEMBL21436502 0.82 CTSS (0.41) MEN1KMT2AF2CTSCMASP2
SCHEMBL7723456 0.82 CTSS (0.41) MEN1KMT2AF2CTSCMASP2
SCHEMBL8143408 0.78 CTSC (0.41) F2CTSC

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 MEN1 2760/4885KMT2A 321/4885CCR1 4116/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 MEN1 2760/4885KMT2A 321/4885CCR1 4116/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI MEN1 3978/4885KMT2A 4069/4885CCR1 930/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX MEN1 4456/4885KMT2A 3853/4885CCR1 4082/4885

“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.