SCHEMBL7041989

SCHEMBL7041989

Cc1nc(-c2nc(NC3CCCCC3)nc(C)c2[N+](=O)[O-])c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.45
MEN1 O00255 8/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BLM P54132 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 3/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
GABBR2 O75899 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41

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
SCHEMBL7101569 0.99 KMT2A (0.43) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7046695 0.85 ALDH1A1 (0.34) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7044554 0.85 ALDH1A1 (0.34) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7047413 0.83 PTGS2 (0.37) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7044725 0.75 L3MBTL1 (0.34) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL7041986 0.72 KMT2A (0.43) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7101567 0.71 KMT2A (0.41) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7049035 0.70 GRM5 (0.34) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6698332 0.70 KMT2A (0.40) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7043673 0.70 LMNA (0.50) KMT2AMAPTHTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002064096-A9 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC (US) 2003-10-16 WO disclosed
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 US disclosed
WO-2002064096-A2 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2002-08-22 WO 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-20030130264-A1 Methods of using pyrimidine-based antiviral agents TYMP, TYMS, NUDT1 KMT2A 2560/4885MEN1 4096/4885MAPT 2656/4885

“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.