SCHEMBL4277663

SCHEMBL4277663

NC1=NC(N)(c2ccc([N+](=O)[O-])cc2)C=CN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
APP P05067 5/20 0.40
METAP1 P53582 1/20 0.40
FBP1 P09467 1/20 0.39
SNCA P37840 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.36
AMY1A P0DUB6 1/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
CYP19A1 P11511 1/20 0.36
BCHE P06276 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL1391527 0.71 MAPT (0.41) MAPTALDH1A1NPC1RAB9AAPP
SCHEMBL27986365 0.69 ALDH1A1 (0.41) MAPTALDH1A1NPC1RAB9AAPP
SCHEMBL900893 0.63 ALDH1A1 (0.75) MAPTALDH1A1NPC1RAB9AAPP
SCHEMBL900894 0.63 ALDH1A1 (0.75) MAPTALDH1A1NPC1RAB9AAPP
SCHEMBL19410323 0.63 ALDH1A1 (0.50) MAPTALDH1A1NPC1RAB9AAPP
SCHEMBL9170800 0.63 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL458177 0.63 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL14947048 0.63 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL458178 0.63 APP (0.78) MAPTNPC1RAB9AAPPFBP1
SCHEMBL9170804 0.63 APP (0.78) MAPTNPC1RAB9AAPPFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US claimed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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 (2 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT MAPT 3800/4885ALDH1A1 1326/4885NPC1 1406/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT MAPT 3707/4885ALDH1A1 1116/4885NPC1 1299/4885

“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.