SCHEMBL12717686

SCHEMBL12717686

O=C(O)c1ccc(-c2ccc(/C=N/Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ POLB P06746 3/20 0.61
▸ KEAP1 Q14145 1/20 0.59
▸ NFE2L2 Q16236 1/20 0.59
▸ MAPT P10636 8/20 0.57
▸ KDM4E B2RXH2 7/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ RECQL P46063 1/20 0.57
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ HSP90AA1 P07900 2/20 0.54
▸ PHGDH O43175 3/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RCE1 Q9Y256 1/20 0.53
▸ DDX3X O00571 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ APEX1 P27695 1/20 0.53

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
SCHEMBL6721165 0.89 KDM4E (0.66) GAAMEN1KMT2APOLBMAPT
SCHEMBL27776235 0.88 MAPT (0.63) GAAMEN1KMT2APOLBMAPT
SCHEMBL6721130 0.85 MAPT (0.64) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL12417184 0.85 DDX3X (0.56) GAAMEN1KMT2APOLBMAPT
SCHEMBL6721154 0.85 CTSL (0.58) GAAMEN1KMT2APOLBMAPT
SCHEMBL8241963 0.81 MAPT (0.57) GAAMEN1KMT2APOLBMAPT
SCHEMBL28373071 0.77 KEAP1 (0.79) GAAMEN1KMT2APOLBKEAP1
SCHEMBL28373067 0.77 KEAP1 (0.79) GAAMEN1KMT2APOLBKEAP1
SCHEMBL12417202 0.76 MAPT (0.62) GAAMEN1KMT2APOLBMAPT
SCHEMBL880463 0.76 GAA (0.74) GAAMEN1KMT2APOLBKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928113-B2 Integrin-binding small molecules UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-19 — — US disclosed
US-7928113-B2 Integrin-binding small molecules UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-19 — — US disclosed
US-20070155750-A1 INTEGRIN-BINDING SMALL MOLECULES USC STEVENS-UNIVERSITY OF SOUTHERN CALIFORNIA 2007-07-05 — — US disclosed
US-20070155750-A1 INTEGRIN-BINDING SMALL MOLECULES USC STEVENS-UNIVERSITY OF SOUTHERN CALIFORNIA 2007-07-05 — — US disclosed
WO-2007059195-A1 INTEGRIN-BINDING SMALL MOLECULES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-05-24 — — WO 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-20070155750-A1 INTEGRIN-BINDING SMALL MOLECULES ITGB3, ITGB5, ITGA2B GAA 3291/4885MEN1 4015/4885KMT2A 4552/4885

“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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