SCHEMBL7727784

SCHEMBL7727784

NCC(=O)N[C@H]1CN[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
ATF4 P18848 1/20 0.42
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MAPT P10636 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL21437023 1.00 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1ATF4FNTA
Hydrochloric Acid SCHEMBL7728707 0.99 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1ATF4FNTA
Hydrochloric Acid SCHEMBL7723099 0.92 DPP4 (0.41) ALDH1A1LMNAATF4ABL1BCR
Hydrochloric Acid SCHEMBL7723096 0.92 DPP4 (0.41) ALDH1A1LMNAATF4ABL1BCR
SCHEMBL21436732 0.90 F13A1 (0.45) ALDH1A1FNTAFNTBMAPTMEN1
SCHEMBL17770490 0.90 F13A1 (0.45) ALDH1A1FNTAFNTBMAPTMEN1
SCHEMBL17770491 0.90 F13A1 (0.45) ALDH1A1FNTAFNTBMAPTMEN1
SCHEMBL7734519 0.89 HDAC8 (0.42) ALDH1A1LMNAL3MBTL1FNTAFNTB
Hydrochloric Acid SCHEMBL7722197 0.89 F13A1 (0.44) ALDH1A1FNTAFNTBMAPTMEN1
Hydrochloric Acid SCHEMBL7722189 0.89 F13A1 (0.44) ALDH1A1FNTAFNTBMAPTMEN1

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 ALDH1A1 2423/4885LMNA 3826/4885L3MBTL1 825/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 ALDH1A1 2423/4885LMNA 3826/4885L3MBTL1 825/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI ALDH1A1 2698/4885LMNA 3918/4885L3MBTL1 3347/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX ALDH1A1 1387/4885LMNA 4196/4885L3MBTL1 1164/4885

“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.