SCHEMBL823233

SCHEMBL823233

O=C(O)c1ccc(Cn2c(=O)[nH]c3c(NCc4ccccc4)nc(Cl)nc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.48
NUDT1 P36639 1/20 0.45
YTHDC1 Q96MU7 1/20 0.44
CDK1 P06493 3/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE5A O76074 1/20 0.42
APP P05067 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA2A P29274 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 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
SCHEMBL10085238 0.79 TLR7 (0.49) TLR7NUDT1YTHDC1
SCHEMBL2568588 0.79 TLR7 (0.66) TLR7NUDT1CDK1ALDH1A1HPGD
SCHEMBL2565121 0.74 TLR7 (0.49) TLR7CDK1ALDH1A1HPGDAPP
SCHEMBL2913478 0.72 TLR7 (0.74) TLR7NUDT1
SCHEMBL19924572 0.69 TLR7 (0.47) TLR7NUDT1ALDH1A1POLBHPGD
SCHEMBL8347870 0.69 HDAC1 (0.56) ALDH1A1POLBHPGDHSD17B10CTDSP1
SCHEMBL12164383 0.69 TLR7 (0.67) TLR7HPGDHSD17B10KDM4EMEN1
SCHEMBL12164386 0.69 HPGD (0.57) TLR7NUDT1ALDH1A1HPGDHSD17B10
SCHEMBL2572493 0.69 TLR7 (0.48) TLR7NUDT1ALDH1A1HPGDCYP3A4
SCHEMBL20119652 0.69 HDAC6 (0.51) YTHDC1ALDH1A1POLBHPGDHSD17B10

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-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC (GB) 2012-01-12 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-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 TLR7 1935/4885NUDT1 1425/4885YTHDC1 4672/4885

“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.