SCHEMBL25753217

SCHEMBL25753217

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RET P07949 5/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL20640604 0.77 GAA (0.44) GAAALDH1A1NPC1HTTRET
SCHEMBL30134356 0.76 MAPT (0.39) GAAALDH1A1LMNA
SCHEMBL25753216 0.74 GAA (0.36) GAAALDH1A1NPC1LMNAPOLB
SCHEMBL21152701 0.73 GAA (0.51) GAAALDH1A1RETLMNAPOLB
SCHEMBL22235822 0.72 GAA (0.36) GAAALDH1A1RETLMNAPOLB
SCHEMBL22207247 0.72 GAA (0.36) GAAALDH1A1RETLMNAPOLB
SCHEMBL26695909 0.71 ALDH1A1 (0.42) GAAALDH1A1LMNAPOLBPKM
SCHEMBL25405989 0.71 CYP4F2 (0.41) GAAALDH1A1HTTRETLMNA
SCHEMBL31106066 0.71 GAA (0.39) GAAALDH1A1RETTDP1KMT2A
SCHEMBL17675453 0.71 GAA (0.49) GAAALDH1A1RETLMNAPOLB

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
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

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 339/4885ALDH1A1 1276/4885NPC1 3246/4885

“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.