SCHEMBL27227809

SCHEMBL27227809

CCS(=O)(=O)n1ncc2c([N+](=O)[O-])cccc21

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
GAA P10253 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TDP1 Q9NUW8 4/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NOS1 P29475 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 3/20 0.38
ATM Q13315 1/20 0.38
CREBBP Q92793 1/20 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
SCHEMBL30860978 0.86 TDP1 (0.44) GAACYP1A2CYP2C9CYP2C19TDP1
SCHEMBL27227871 0.86 TDP1 (0.44) GAACYP1A2CYP2C9CYP2C19TDP1
SCHEMBL30860946 0.85 DCTPP1 (0.37) PKMGAACYP1A2CYP2C9CYP2C19
SCHEMBL27227891 0.85 DCTPP1 (0.37) PKMGAACYP1A2CYP2C9CYP2C19
SCHEMBL27228485 0.82 TDP1 (0.41) GAACYP1A2CYP2C9CYP2C19TDP1
SCHEMBL3686407 0.80 TDP1 (0.47) GAACYP1A2CYP2C9CYP2C19TDP1
SCHEMBL27227986 0.80 TDP1 (0.41) GAACYP1A2CYP2C9CYP2C19TDP1
SCHEMBL27227825 0.77 LMNA (0.43) PKMGAACYP1A2CYP2C9CYP2C19
SCHEMBL6118688 0.77 TDP1 (0.44) GAACYP1A2CYP2C9CYP2C19TDP1
SCHEMBL27227924 0.77 ALDH1A1 (0.39) TDP1ALDH1A1CYP3A4

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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 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 (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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 PKM 365/4885GAA 959/4885CYP1A2 4674/4885

“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.