SCHEMBL17770534

SCHEMBL17770534

NCC(=O)N[C@H]1CN[C@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2ccc3c(c2)CCC3)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 5/20 0.36
HDAC11 Q96DB2 5/20 0.36
HDAC6 Q9UBN7 5/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
NCOR2 Q9Y618 2/20 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
Hydrochloric Acid SCHEMBL7731070 0.99 NPC1 (0.42) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL17770546 0.87 POLB (0.41) NPC1RAB9AMEN1KMT2ATP53
Hydrochloric Acid SCHEMBL7729657 0.86 POLB (0.40) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL7722172 0.85 MMP2 (0.40) MEN1KMT2ANFKB1NFKB2RELA
SCHEMBL7734309 0.85 EPHX2 (0.40) NPC1ALDH1A1MEN1KMT2AHDAC3
Hydrochloric Acid SCHEMBL7729651 0.85 MMP2 (0.40) MEN1KMT2ANFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL7729869 0.84 EPHX2 (0.39) NPC1ALDH1A1MEN1KMT2AHDAC3
SCHEMBL8143408 0.82 CTSC (0.41)
SCHEMBL7722245 0.81 BDKRB2 (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL21436267 0.81 BDKRB2 (0.41) NPC1RAB9AALDH1A1MEN1KMT2A

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 8 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

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 NPC1 3748/4885RAB9A 2128/4885ALDH1A1 2423/4885
US-11419834-B2 Methods for treating diseases or infections caused by or associated with H. pylori using a halogenated salicylanilide MALT1, SI, BCL6 NPC1 3748/4885RAB9A 2128/4885ALDH1A1 2423/4885
US-20210137948-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE MGLL, NIT2, SI NPC1 2434/4885RAB9A 2017/4885ALDH1A1 2698/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX NPC1 3090/4885RAB9A 3736/4885ALDH1A1 1387/4885

“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.