SCHEMBL25753216

SCHEMBL25753216

Cc1c([N+](=O)[O-])c(N2C(=O)c3ccccc3C2=O)nn1C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
SCN2A Q99250 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
DRD1 P21728 2/20 0.32
LMNA P02545 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 2/20 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
SCHEMBL25753217 0.74 GAA (0.49) GAAALDH1A1NPC1KMT2ACYP4F2
SCHEMBL25753201 0.74 SCN2A (0.44) SCN2AALDH1A1MAPTNPC1KMT2A
SCHEMBL25753161 0.73 SCN2A (0.43) SCN2AALDH1A1MEN1NPC1S1PR4
SCHEMBL25753210 0.68 SCN2A (0.39) SCN2AALDH1A1MAPTKMT2ALMNA
SCHEMBL20640604 0.68 GAA (0.44) GAACYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL31106066 0.68 GAA (0.39) GAAALDH1A1MAPTKMT2ACYP4F2
SCHEMBL31510959 0.68 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL30134356 0.67 MAPT (0.39) GAAALDH1A1MAPTLMNATSHR
SCHEMBL29258348 0.67 L3MBTL1 (0.37) GAAALDH1A1MAPTMEN1NPC1
SCHEMBL31106124 0.66 GAA (0.38) GAACYP1A2CYP2C19ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620949-B Synthesis method of antitumor compound and intermediate thereof 药捷安康(南京)科技股份有限公司 2025-05-09 CN disclosed
US-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2023-07-06 US disclosed
US-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2023-07-06 US disclosed
CN-113620949-A Synthesis method of antitumor compound and intermediate thereof 南京药捷安康生物科技有限公司 2021-11-09 CN 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-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF SQLE, HCCS, DHPS GAA 339/4885SCN2A 4538/4885CYP1A2 485/4885

“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.