SCHEMBL7734309

SCHEMBL7734309

Cc1cc(NC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H]2C[C@@H](NC(=O)CN)CN2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
NPC1 O15118 1/20 0.38
PSMB5 P28074 3/20 0.36
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
MCL1 Q07820 1/20 0.35
MASP2 O00187 1/20 0.35
BDKRB2 P30411 1/20 0.35
CALCRL Q16602 1/20 0.35
F2 P00734 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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 SCHEMBL7729869 0.99 EPHX2 (0.39) EPHX2NPC1PSMB5ABL1BCR
SCHEMBL17770546 0.93 POLB (0.41) EPHX2NPC1BDKRB2CALCRLF2
Hydrochloric Acid SCHEMBL7729657 0.92 POLB (0.40) EPHX2NPC1BDKRB2CALCRLF2
SCHEMBL7722172 0.88 MMP2 (0.40) PSMB5MASP2CALCRLF2HDAC3
Hydrochloric Acid SCHEMBL7729651 0.87 MMP2 (0.40) PSMB5MASP2CALCRLF2HDAC3
SCHEMBL17770534 0.85 NPC1 (0.43) NPC1BDKRB2CALCRLHDAC3HDAC1
Hydrochloric Acid SCHEMBL7731070 0.84 NPC1 (0.42) NPC1BDKRB2CALCRLHDAC3HDAC1
SCHEMBL7722316 0.84 F2 (0.36) MASP2F2HDAC3HDAC1HDAC2
SCHEMBL21436517 0.84 F2 (0.36) MASP2F2HDAC3HDAC1HDAC2
SCHEMBL21436298 0.83 F2 (0.36) PSMB5MASP2BDKRB2F2HDAC1

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
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
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 EPHX2 4178/4885NPC1 3748/4885PSMB5 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 EPHX2 4178/4885NPC1 3748/4885PSMB5 3990/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI EPHX2 3504/4885NPC1 2434/4885PSMB5 4070/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX EPHX2 3364/4885NPC1 3090/4885PSMB5 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.