SCHEMBL12717690

SCHEMBL12717690

CCOc1cc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 1.00
▸ MEN1 O00255 9/20 1.00
▸ KMT2A Q03164 9/20 1.00
▸ ALDH1A1 P00352 8/20 0.87
▸ KDM4E B2RXH2 2/20 0.87
▸ POLB P06746 2/20 0.73
▸ HTT P42858 4/20 0.69
▸ NPC1 O15118 2/20 0.69
▸ RAB9A P51151 2/20 0.69
▸ LMNA P02545 3/20 0.65
▸ CYP1A2 P05177 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ GAA P10253 6/20 0.62
▸ NPSR1 Q6W5P4 3/20 0.61
▸ PKM P14618 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ HPGD P15428 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
SCHEMBL12717683 0.86 MAPT (0.87) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7689352 0.77 MAPT (0.78) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL22737353 0.72 MAPT (0.68) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13091221 0.70 MAPT (0.60) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3813156 0.70 MAPT (0.66) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3063942 0.69 MAPT (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14291439 0.69 MAPT (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14438981 0.69 MEN1 (0.78) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14291437 0.69 MAPT (0.58) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL11807869 0.68 NPSR1 (0.93) 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 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 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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