SCHEMBL7044720

SCHEMBL7044720

CCCCN(Cc1ccccc1)c1nc(C)c([N+](=O)[O-])c(-c2c[nH]c(C)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.42
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
MAPK8 P45983 1/20 0.36
LMNA P02545 5/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL7045767 0.91 MAPT (0.37) CRHR1LMNAMEN1HTTKMT2A
SCHEMBL7043666 0.84 MAPT (0.47) LMNAHTTMAPTMAPK1SMN1; SMN2
SCHEMBL7046809 0.82 MAPT (0.39) LMNAMEN1HTTKMT2AMAPT
SCHEMBL7045359 0.80 PPIA (0.40) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL7046838 0.76 MAPT (0.49) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL7042024 0.76 MAPT (0.46) LMNAHTTMAPTTP53
SCHEMBL6696475 0.74 CRHR1 (0.39) CRHR1NPC1TSHRRAB9AAGTR1
SCHEMBL27576511 0.74 CRHR1 (0.39) CRHR1AGTR1AGTR2MAPK8LMNA
SCHEMBL7043673 0.72 LMNA (0.50) NPC1RAB9ALMNAHTTKMT2A
SCHEMBL7043420 0.69 NPC1 (0.43) NPC1RAB9AMEN1KMT2AMAPT

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 CRHR1 4562/4885NPC1 2289/4885TSHR 4783/4885

“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.