SCHEMBL12189773

SCHEMBL12189773

CCN(c1ccccc1)c1nc(Cl)nc(Nc2cc(S(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.46
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ ENPP2 Q13822 3/20 0.33
▸ MPL P40238 1/20 0.33
▸ CTRC Q99895 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ PRMT1 Q99873 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ P2RX2 Q9UBL9 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL12172983 0.92 FUT8 (0.35) FUT8CYP1A2ALDH1A1MPLCTRC
SCHEMBL12974316 0.91 FUT8 (0.57) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL12646578 0.91 FUT8 (0.57) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL19754269 0.90 FUT8 (0.47) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL14022709 0.85 FUT8 (0.58) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL12172963 0.85 FUT8 (0.58) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL12173273 0.83 FUT8 (0.45) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL12589961 0.83 FUT8 (0.45) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL12589894 0.82 FUT8 (0.45) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13815202 0.82 FUT8 (0.45) FUT8CYP1A2CYP2C9MAPK1DNASE1L3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403987-B2 Charged particles BASF SE (DE) 2016-08-02 — — US disclosed
US-20120229884-A1 CHARGED PARTICLES BASF SE (DE) 2012-09-13 — — 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-20120229884-A1 CHARGED PARTICLES POLE3, POLD3, IPO4 FUT8 769/4885CYP1A2 4304/4885CYP2C9 4082/4885

“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.

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