SCHEMBL3242008

SCHEMBL3242008

Cc1nc(C(=O)N(C)C)nn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 1.00
TDP1 Q9NUW8 1/20 0.74
HTT P42858 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
MAPT P10636 6/20 0.62
ALDH1A1 P00352 5/20 0.62
POLB P06746 2/20 0.62
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1820467 0.85 TDP1 (1.00) LMNATDP1HTTL3MBTL1MAPT
SCHEMBL1822332 0.82 TDP1 (0.74) LMNATDP1HTTL3MBTL1MAPT
SCHEMBL1823842 0.81 LMNA (0.67) LMNATDP1HTTL3MBTL1MAPT
SCHEMBL1825643 0.79 TDP1 (0.66) LMNATDP1HTTL3MBTL1MAPT
SCHEMBL6320995 0.77 TDP1 (0.67) LMNATDP1HTTL3MBTL1MAPT
SCHEMBL11073261 0.75 TDP1 (0.63) LMNATDP1HTTL3MBTL1MAPT
SCHEMBL4265139 0.74 LMNA (0.59) LMNATDP1HTTL3MBTL1MAPT
SCHEMBL11065466 0.72 TDP1 (0.60) LMNATDP1HTTL3MBTL1MAPT
SCHEMBL4549451 0.70 MAPT (0.58) LMNATDP1HTTL3MBTL1MAPT
SCHEMBL10848495 0.70 LMNA (0.54) LMNATDP1L3MBTL1MAPTALDH1A1

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-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2010-06-24 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-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS SLC28A1, TPMT, ACE LMNA 4439/4885TDP1 377/4885HTT 3748/4885

“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.