SCHEMBL5478335

SCHEMBL5478335

COc1cc(C(C=O)=NO)ccc1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 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
SCHEMBL4448757 0.88 MAPT (0.57) MAPTSMN1; SMN2POLBALDH1A1MEN1
SCHEMBL5456801 0.81 ABCG2 (0.51) MAPTSMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL4409525 0.80 TSHR (0.61) MAPTSMN1; SMN2POLBALDH1A1NPC1
SCHEMBL5478341 0.77 MAPT (0.48) MAPTSMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL5466423 0.75 ALDH1A1 (0.56) MAPTSMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL1015345 0.75 CA12 (0.73) MAPTSMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL16956653 0.75 ALDH1A1 (0.50) MAPTSMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL24812339 0.74 MAPK1 (0.62) MAPTSMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL6568018 0.74 MAPT (0.66) MAPTSMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL25139437 0.74 HIF1A (0.53) MAPTSMN1; SMN2ALDH1A1MAPK1NPC1

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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF MAPT 919/4885SMN1; SMN2 1061/4885POLB 430/4885

“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.