SCHEMBL7734240

SCHEMBL7734240

Cc1cc2cc(NC(=O)[C@@H](CCc3ccccc3)NC(=O)[C@@H]3C[C@@H](NC(=O)CN)CN3)cnc2cc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.36
NFKB1 P19838 1/20 0.35
PSMB5 P28074 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HDAC1 Q13547 2/20 0.34
MASP2 O00187 6/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
HDAC4 P56524 1/20 0.34
S1PR1 P21453 1/20 0.34
BDKRB2 P30411 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 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
SCHEMBL21436298 1.00 F2 (0.36) F2NFKB1PSMB5NFKB2RELA
SCHEMBL21436252 0.91 BDKRB2 (0.41) NFKB1NFKB2RELAHDAC1HDAC4
SCHEMBL21436267 0.91 BDKRB2 (0.41) NFKB1NFKB2RELAHDAC1HDAC4
SCHEMBL7728845 0.91 BDKRB2 (0.41) NFKB1NFKB2RELAHDAC1HDAC4
SCHEMBL7722245 0.91 BDKRB2 (0.41) NFKB1NFKB2RELAHDAC1HDAC4
SCHEMBL7727989 0.91 BDKRB2 (0.41) NFKB1NFKB2RELAHDAC1HDAC4
Hydrochloric Acid SCHEMBL7728600 0.90 HDAC1 (0.42) NFKB1NFKB2RELAHDAC1HDAC4
SCHEMBL21523168 0.90 BDKRB2 (0.37) F2NFKB1PSMB5NFKB2RELA
SCHEMBL7726703 0.90 BDKRB2 (0.37) F2NFKB1PSMB5NFKB2RELA
SCHEMBL17770546 0.86 POLB (0.41) F2HDAC1BDKRB2MMP1MMP2

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 7 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
EP-3773602-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2021-02-17 EP 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
WO-2019192968-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2019-10-10 WO 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 4166/4885NFKB1 1115/4885PSMB5 3990/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 F2 4166/4885NFKB1 1115/4885PSMB5 3990/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI F2 2844/4885NFKB1 913/4885PSMB5 4070/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX F2 1739/4885NFKB1 126/4885PSMB5 2690/4885

“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.