SCHEMBL16428629

SCHEMBL16428629

CCc1c(O)cc(=O)[nH]c1-c1ccc2c(ccn2C)c1O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PTPN1 P18031 1/20 0.32
KDM5A P29375 1/20 0.30
AKT1 P31749 1/20 0.30
PDE10A Q9Y233 3/20 0.30
ASH1L Q9NR48 1/20 0.30

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
SCHEMBL14744769 0.78 PTPN1 (0.31) PTPN1KDM5A
SCHEMBL14741013 0.76 USP2 (0.33) KDM5A
SCHEMBL14746218 0.72 HTT (0.38)
SCHEMBL14744717 0.70 XDH (0.41)
SCHEMBL16441023 0.70 PTPN1 (0.30) PTPN1
SCHEMBL16428750 0.69 ASH1L (0.44) AKT1ASH1L
SCHEMBL16428430 0.68 MAPT (0.38)
SCHEMBL16441022 0.68 MAPT (0.34) KDM5A
SCHEMBL16567924 0.68 L3MBTL1 (0.38) HSP90AA1
SCHEMBL16568420 0.67 KDM4E (0.43) KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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 (1 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP HSP90AA1 207/4885HSP90AB1 95/4885PTPN1 2543/4885

“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.