SCHEMBL14780812

SCHEMBL14780812

Cc1nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(S(C)(=O)=O)cnn4-c4cccc(C(=O)O)c4)c3N)n2)c(N)c1N=Nc1c(C[SH](=O)=O)cnn1-c1cccc(C(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.34
▸ RAB9A P51151 6/20 0.34
▸ SMN1; SMN2 Q16637 6/20 0.34
▸ NPC1 O15118 5/20 0.34
▸ TDP1 Q9NUW8 4/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31

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
SCHEMBL15233125 0.92 RIPK2 (0.31) —
SCHEMBL60015 0.85 MAPT (0.35) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL13239253 0.82 MAPT (0.32) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL12084072 0.82 MAPT (0.33) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL12998657 0.81 MAPT (0.36) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL4400175 0.81 MAPT (0.34) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL10052076 0.80 MAPT (0.34) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL12998664 0.78 MAPT (0.37) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL10139526 0.77 — —
SCHEMBL13159225 0.77 — —

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-8808440-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-08-19 — — US disclosed
US-8399664-B2 Coloring matter, ink, ink for ink jet, ink jet recording method, color toner, and color filter FUJIFILM CORPORATION (JP) 2013-03-19 — — US disclosed
US-20120088910-A1 COLORING MATTER, INK, INK FOR INK JET, INK JET RECORDING METHOD, COLOR TONER, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2012-04-12 — — 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-20120088910-A1 COLORING MATTER, INK, INK FOR INK JET, INK JET RECORDING METHOD, COLOR TONER, AND COLOR FILTER H1-5, IK, H1-2 MAPT 1984/4885RAB9A 487/4885SMN1; SMN2 2316/4885

“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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