SCHEMBL25753201

SCHEMBL25753201

Cc1c([N+](=O)[O-])c(N2C(=O)c3ccccc3C2=O)nn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.44
LMNA P02545 4/20 0.39
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
GRK5 P34947 1/20 0.39
LIMK1 P53667 1/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL25753161 0.84 SCN2A (0.43) SCN2ALMNAALDH1A1NPSR1TSHR
SCHEMBL25753210 0.79 SCN2A (0.39) SCN2ALMNAMAPTALDH1A1TSHR
SCHEMBL25753149 0.74 HTT (0.50) SCN2ALMNAMAPTALDH1A1MAPK1
SCHEMBL25753216 0.74 GAA (0.36) SCN2ALMNAMAPTALDH1A1TSHR
SCHEMBL16698918 0.74 SCN2A (0.46) SCN2ALMNAMAPTALDH1A1MAPK1
SCHEMBL30860316 0.68 DDB1 (0.50) LMNAMAPTKDM4EL3MBTL1POLB
SCHEMBL13899667 0.68 DDB1 (0.50) LMNAMAPTKDM4EL3MBTL1POLB
SCHEMBL20074836 0.68 AR (0.42) MAPTALDH1A1NPSR1TSHRKDM4E
SCHEMBL2386652 0.67 PKM (0.66) LMNACHEK1DAPK3GRK5LIMK1
SCHEMBL20438317 0.67 HTT (0.55) MAPTALDH1A1MAPK1NPSR1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SCN2A 4538/4885LMNA 2236/4885CHEK1 1805/4885

“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.