SCHEMBL7732457

SCHEMBL7732457

NC[C@@H]1CN[C@@H](c2nc3cc(Cc4ccccc4)ccc3[nH]2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.35
GAA P10253 4/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR2B P41595 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
XDH P47989 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7732462 1.00 SCN10A (0.35) SCN10AGAACHRNB2CHRNA4HTR2B
SCHEMBL7732464 0.91 SCN10A (0.42) SCN10AGAAMAPTKDM4EPKM
SCHEMBL2067985 0.80 GID4 (0.41) SCN10ATDP1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7733339 0.80 GID4 (0.41) SCN10ATDP1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7722048 0.76 SMN1; SMN2 (0.42) TDP1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL8150633 0.74 F2 (0.39) GAAMAPTSMN1; SMN2TSHR
SCHEMBL7735942 0.74 F2 (0.39) GAAMAPTSMN1; SMN2TSHR
SCHEMBL7730858 0.74 F2 (0.39) GAAMAPTSMN1; SMN2TSHR
SCHEMBL7732752 0.72 GID4 (0.41) SCN10AGAAMAPTKDM4EPKM
SCHEMBL11718240 0.70 AOC3 (0.53) GAAMAPTKDM4EPKMTDP1

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 10 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
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO 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 SCN10A 398/4885GAA 761/4885CHRNB2 4571/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 SCN10A 398/4885GAA 761/4885CHRNB2 4571/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI SCN10A 291/4885GAA 1946/4885CHRNB2 3881/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX SCN10A 3511/4885GAA 335/4885CHRNB2 4882/4885

“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.