SCHEMBL7729500

SCHEMBL7729500

NCC(=O)N[C@H]1CN[C@H](C(=O)Nc2nc3cc(Cc4ccccc4)ccc3[nH]2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
LPAR2 Q9HBW0 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
ABL1 P00519 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL7729522 0.93 LPAR2 (0.42) ALDH1A1MAPK1HSD17B10NPC1RAB9A
SCHEMBL7723308 0.86 CACNA1G (0.40) MAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7723513 0.86 CACNA1G (0.40) MAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7729019 0.86 SMYD3 (0.41) ALDH1A1POLBTDP1
SCHEMBL7722048 0.85 SMN1; SMN2 (0.42) ALDH1A1MAPK1HSD17B10NPC1RAB9A
SCHEMBL7731185 0.84 PRCP (0.40)
SCHEMBL2067985 0.82 GID4 (0.41) ALDH1A1MAPK1HSD17B10SMN1; SMN2POLB
SCHEMBL7733339 0.82 GID4 (0.41) ALDH1A1MAPK1HSD17B10SMN1; SMN2POLB
SCHEMBL7730864 0.81 MEN1 (0.42) POLBLMNA
SCHEMBL7730867 0.81 MEN1 (0.42) POLBLMNA

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 ALDH1A1 2423/4885MAPK1 3925/4885HSD17B10 424/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 ALDH1A1 2423/4885MAPK1 3925/4885HSD17B10 424/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI ALDH1A1 2698/4885MAPK1 3049/4885HSD17B10 226/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX ALDH1A1 1387/4885MAPK1 2319/4885HSD17B10 1634/4885

“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.