SCHEMBL4559889

SCHEMBL4559889

COC(C(=O)Nc1ccccc1)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
USP2 O75604 1/20 0.45
ESR1 P03372 1/20 0.45
NR4A1 P22736 1/20 0.45
PTK2B Q14289 1/20 0.45
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR1E P28566 1/20 0.44
S1PR3 Q99500 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4558787 0.86 POLB (0.51) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL3012625 0.80 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAMEN1NPC1
SCHEMBL1754848 0.72 POLB (0.55) ALDH1A1KMT2ALMNAMEN1NPC1
SCHEMBL3299124 0.72 KMT2A (0.62) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL7978304 0.71 KLK7 (0.61) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL8927647 0.71 POLB (0.53) ALDH1A1KMT2ALMNAMEN1NPC1
SCHEMBL6973912 0.69 POLB (0.52) ALDH1A1KMT2ALMNAMEN1NPC1
SCHEMBL8049390 0.69 ALDH1A1 (0.77) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL9515695 0.69 MAPT (0.56) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL8927298 0.69 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMEN1NPC1

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
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 ALDH1A1 2146/4885KMT2A 2079/4885LMNA 3137/4885

“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.