SCHEMBL7705288

SCHEMBL7705288

CC(CCl)(c1cc(-n2ncc(=O)[nH]c2=O)cc(C(C)(CCl)c2nc(-c3ccccc3Cl)c(-c3cccc(CO)c3)s2)c1)c1nc(-c2ccccc2Cl)c(-c2cccc(CO)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.37
ABCB11 O95342 1/20 0.37
DHODH Q02127 1/20 0.33
THRB P10828 4/20 0.32
THRA P10827 2/20 0.31
MEN1 O00255 1/20 0.31
NR1I2 O75469 1/20 0.31
KMT2A Q03164 1/20 0.31
BTK Q06187 1/20 0.30
MAP2K4 P45985 1/20 0.30

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
SCHEMBL6459797 0.89 P2RX7 (0.39) P2RX7ABCB11DHODHTHRBTHRA
SCHEMBL7135587 0.77 P2RX7 (0.38) P2RX7ABCB11THRBTHRAMEN1
SCHEMBL6462166 0.76 P2RX7 (0.38) P2RX7ABCB11THRBTHRA
SCHEMBL6461284 0.76 P2RX7 (0.35) P2RX7ABCB11THRBTHRAMEN1
SCHEMBL6461628 0.72 ADORA2A (0.38) P2RX7ABCB11THRBTHRABTK
SCHEMBL6459898 0.72 THRB (0.39) P2RX7ABCB11THRBTHRAMEN1
SCHEMBL6462754 0.72 P2RX7 (0.41) P2RX7ABCB11THRBTHRAMEN1
SCHEMBL6460370 0.71 P2RX7 (0.34) P2RX7ABCB11THRB
SCHEMBL6460365 0.71 P2RX7 (0.34) P2RX7ABCB11THRB
SCHEMBL6462226 0.70 P2RX7 (0.46) P2RX7ABCB11THRB

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-20020010177-A1 IL-5 inhibiting 6-azauracil derivatives JANSSEN CILAG S.A. (FR) 2002-01-24 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-20020010177-A1 IL-5 inhibiting 6-azauracil derivatives ALOX5, IL5, IL6ST P2RX7 880/4885ABCB11 2670/4885DHODH 1300/4885

“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.