SCHEMBL7726715

SCHEMBL7726715

NCC(=O)N[C@@H]1CCN[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
RNF4 P78317 1/20 0.43
DPP4 P27487 1/20 0.42
LTA4H P09960 1/20 0.42
PFKFB1 P16118 3/20 0.42

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
Hydrochloric Acid SCHEMBL7735828 0.99 FNTA (0.45) FNTAFNTBEPHX1ALDH1A1MAPT
SCHEMBL17770491 0.89 F13A1 (0.45) FNTAFNTBEPHX1ALDH1A1MAPT
SCHEMBL21436732 0.89 F13A1 (0.45) FNTAFNTBEPHX1ALDH1A1MAPT
SCHEMBL17770490 0.89 F13A1 (0.45) FNTAFNTBEPHX1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7722189 0.88 F13A1 (0.44) FNTAFNTBEPHX1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7722197 0.88 F13A1 (0.44) FNTAFNTBEPHX1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7731804 0.80 FNTA (0.51) FNTAFNTBEPHX1ALDH1A1MAPT
SCHEMBL7734519 0.80 HDAC8 (0.42) FNTAFNTBALDH1A1MAPTRAB9A
SCHEMBL21437023 0.80 ALDH1A1 (0.45) FNTAFNTBALDH1A1MAPTHPGD
SCHEMBL7727784 0.80 ALDH1A1 (0.45) FNTAFNTBALDH1A1MAPTHPGD

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 9 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
EP-3220919-A1 ANTIBACTERIAL COMPOUNDS Victoria Link Limited (NZ) 2017-09-27 EP disclosed
WO-2016080846-A1 ANTIBACTERIAL COMPOUNDS COPP JANINE NAOMI (NZ) 2016-05-26 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 FNTA 3176/4885FNTB 3876/4885EPHX1 4193/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 FNTA 3176/4885FNTB 3876/4885EPHX1 4193/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI FNTA 585/4885FNTB 848/4885EPHX1 3744/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX FNTA 123/4885FNTB 221/4885EPHX1 2308/4885

“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.