SCHEMBL25888751

SCHEMBL25888751

C=C(C)Nc1c(C#N)c(-c2ccc([N+](=O)[O-])cc2)nn1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CDK2 P24941 1/20 0.36
IKBKB O14920 1/20 0.36
DYRK1A Q13627 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM1A O60341 2/20 0.36
DHODH Q02127 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MAPT P10636 2/20 0.35
AURKA O14965 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL25889014 0.86 HTT (0.42) HTTALDH1A1RAB9ALMNAPOLB
SCHEMBL25888749 0.80 RIPK2 (0.42) HTTDYRK1AKDRCSNK2A2CSNK2B
SCHEMBL25888754 0.79 HTT (0.41) HTTALDH1A1RAB9ALMNAPOLB
SCHEMBL4257428 0.79 IKBKB (0.42) HTTALDH1A1RAB9ALMNAPOLB
SCHEMBL30409113 0.79 MEN1 (0.42) HTTALDH1A1RAB9ALMNAPOLB
SCHEMBL30408211 0.78 ALDH1A1 (0.39) HTTALDH1A1RAB9ALMNAPOLB
SCHEMBL30409036 0.78 KDR (0.46) HTTALDH1A1RAB9ALMNAPOLB
SCHEMBL25889034 0.78 ALDH1A1 (0.39) HTTALDH1A1RAB9ALMNAPOLB
SCHEMBL30408688 0.78 POLB (0.36) HTTALDH1A1RAB9ALMNAPOLB
SCHEMBL25889222 0.78 KDR (0.46) HTTALDH1A1RAB9ALMNAPOLB

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-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 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-20230227428-A1 AMIDO COMPOUNDS RIPK1, RIPK3, MLKL HTT 3476/4885ALDH1A1 4812/4885RAB9A 1064/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 HTT 3599/4885ALDH1A1 4663/4885RAB9A 1871/4885

“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.