SCHEMBL16428628

SCHEMBL16428628

CCc1c(O)cc(=O)[nH]c1-c1ccc2c(ccn2-c2ccccn2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 2/20 0.36
NOX1 Q9Y5S8 2/20 0.36
CYBB P04839 1/20 0.36
PTK2 Q05397 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
ROCK1 Q13464 4/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL14745074 0.82 NOX4 (0.36) NOX4NOX1CYBBPTK2TLR7
SCHEMBL16428841 0.79 KCNH2 (0.43) MAPTCYP1A2POLBCYP3A4CYP2C9
SCHEMBL16428798 0.76 MEN1 (0.38) MAPTCYP1A2POLBCYP3A4CYP2C19
SCHEMBL16428918 0.75 GLO1 (0.35) CYP11B1CYP11B2MET
SCHEMBL16428410 0.73 USP7 (0.48) CDK8CLK2GSK3BDYRK1AMAPK14
SCHEMBL16428837 0.69 CHRM1 (0.38) KDM4E
SCHEMBL14745063 0.69 ERCC1 (0.54) CYP11B2FLT3CDK8GSK3BPDE3B
SCHEMBL28619086 0.68 NPC1 (0.54) MAPTROCK1KDM4ESLC11A2
SCHEMBL16428430 0.68 MAPT (0.38) MAPTCYP1A2POLBCYP3A4CYP2C19
SCHEMBL6659220 0.68 CYP11B1 (0.53) CYP11B1CYP11B2MAPT

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 NOX4 1526/4885NOX1 1219/4885CYBB 922/4885

“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.