SCHEMBL7734119

SCHEMBL7734119

N=C(N)N[C@H]1CN[C@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2cnc3ccccc3c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 5/20 0.40
HDAC4 P56524 4/20 0.40
HDAC3 O15379 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39

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
SCHEMBL21523169 1.00 BDKRB2 (0.41) BDKRB2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL21436267 0.91 BDKRB2 (0.41) BDKRB2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7722245 0.91 BDKRB2 (0.41) BDKRB2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL21436252 0.91 BDKRB2 (0.41) BDKRB2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7728845 0.91 BDKRB2 (0.41) BDKRB2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7727989 0.91 BDKRB2 (0.41) BDKRB2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL23327688 0.90 HDAC1 (0.41) BDKRB2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL21436527 0.90 HDAC1 (0.41) BDKRB2MAPTRAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7728600 0.90 HDAC1 (0.42) BDKRB2MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7730966 0.87 MAPT (0.44) BDKRB2MAPTRAB9ASMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 BDKRB2 3681/4885MAPT 4827/4885RAB9A 2128/4885
US-20190328687-A1 Antibacterial Compounds SHARPIN, FDPS, BROX BDKRB2 3379/4885MAPT 3628/4885RAB9A 3736/4885

“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.