SCHEMBL12717683

SCHEMBL12717683

COc1cc(/C=N/Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)ccc1OCC(=O)O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.87
▸ MEN1 O00255 9/20 0.87
▸ KMT2A Q03164 9/20 0.87
▸ ALDH1A1 P00352 8/20 0.87
▸ KDM4E B2RXH2 2/20 0.87
▸ HTT P42858 6/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ POLB P06746 2/20 0.64
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.58
▸ GAA P10253 4/20 0.55
▸ HPGD P15428 1/20 0.55
▸ LMNA P02545 6/20 0.55
▸ TDP1 Q9NUW8 3/20 0.51
▸ PKM P14618 1/20 0.51
▸ RECQL P46063 1/20 0.50
▸ CCR6 P51684 1/20 0.50

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
SCHEMBL12717690 0.86 MAPT (1.00) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3813156 0.77 MAPT (0.66) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL22737353 0.73 MAPT (0.68) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13997155 0.72 MAPT (0.66) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7689352 0.70 MAPT (0.78) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL1659816 0.68 MAPT (0.62) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL1659812 0.68 MAPT (0.62) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8232030 0.67 MAPT (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL22337232 0.67 KMT2A (0.83) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL29345118 0.67 MAPT (0.73) MAPTMEN1KMT2AALDH1A1POLB

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 6 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
EP-2298308-A2 Integrin-binding small molecules University Of Southern California (US) 2011-03-23 — — EP 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 MAPT 4563/4885MEN1 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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