SCHEMBL25753210

SCHEMBL25753210

Cc1c([N+](=O)[O-])c(N2C(=O)c3ccccc3C2=O)nn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.39
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPRT1 P00492 1/20 0.34
POLB P06746 1/20 0.34
AR P10275 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL25753201 0.79 SCN2A (0.44) SCN2ALMNATSHRCYP3A4ALDH1A1
SCHEMBL25753161 0.78 SCN2A (0.43) SCN2ALMNATSHRCYP3A4ALDH1A1
SCHEMBL25753214 0.77 MAPT (0.39) LMNACYP3A4ALDH1A1KMT2APKM
SCHEMBL25753149 0.69 HTT (0.50) SCN2ALMNATSHRCYP3A4ALDH1A1
SCHEMBL25753216 0.68 GAA (0.36) SCN2ALMNATSHRCYP3A4ALDH1A1
SCHEMBL26126512 0.66 ESR1 (0.42) SCN2AALDH1A1POLBKMT2ARECQL
SCHEMBL16698918 0.65 SCN2A (0.46) SCN2ALMNACYP3A4ALDH1A1POLB
SCHEMBL3583148 0.61 SCN2A (0.47) SCN2ALMNACYP3A4ALDH1A1POLB
SCHEMBL16620361 0.60 MEN1 (0.36) LMNATSHRCYP3A4ALDH1A1KMT2A
SCHEMBL1973251 0.57 SCN2A (1.00) SCN2ALMNAALDH1A1ARKMT2A

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 2236/4885TSHR 4426/4885

“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.