SCHEMBL16330376

SCHEMBL16330376

C=C(Br)C(=O)Nc1cc(S(=O)(=O)O)c(Nc2nc(Cl)nc(Nc3ccc(/N=N/c4c(N)c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(O)c45)c(S(=O)(=O)O)c3)n2)cc1S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.52
▸ ENPP2 Q13822 4/20 0.48
▸ CHAT P28329 4/20 0.44
▸ ENPP3 O14638 1/20 0.44
▸ ENPP1 P22413 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ HPGDS O60760 1/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34

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
SCHEMBL12974385 0.94 FUT8 (0.51) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL16330377 0.92 ENPP2 (0.59) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL12189775 0.88 FUT8 (0.60) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL14038348 0.87 FUT8 (0.57) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL11404435 0.81 FUT8 (0.51) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL11404442 0.81 FUT8 (0.51) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL9343981 0.80 FUT8 (0.59) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL14063441 0.80 FUT8 (0.50) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL14038346 0.79 FUT8 (0.49) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL12189797 0.79 ENPP2 (0.62) FUT8ENPP2CHATENPP3ENPP1

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 769/4885ENPP2 1649/4885CHAT 1302/4885

“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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