SCHEMBL16915451

SCHEMBL16915451

CC(=O)Oc1ccccc1C=Cc1cnccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.47
▸ MEN1 O00255 7/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ MAPT P10636 5/20 0.43
▸ MAPK1 P28482 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 7/20 0.43
▸ HPGD P15428 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43

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
SCHEMBL16915450 1.00 KMT2A (0.47) KMT2AMEN1RAB9ANPC1HSP90AA1
SCHEMBL11631039 0.86 KDM4E (0.57) KMT2AMEN1RAB9ANPC1HSP90AA1
SCHEMBL11631034 0.86 KDM4E (0.57) KMT2AMEN1RAB9ANPC1HSP90AA1
SCHEMBL16915485 0.83 RAB9A (0.43) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL16915488 0.83 RAB9A (0.43) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL16915477 0.81 RAB9A (0.55) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL16915478 0.81 RAB9A (0.55) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL1603612 0.81 MEN1 (0.60) KMT2AMEN1RAB9ANPC1HSP90AA1
SCHEMBL16915447 0.80 CYP11B1 (0.50) KMT2AMEN1RAB9ANPC1HSP90AA1
SCHEMBL16915445 0.80 CYP11B1 (0.50) KMT2AMEN1RAB9ANPC1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975860-B2 Anti-angiogenic compounds UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2018-05-22 — — US disclosed
EP-3094625-A1 ANTI-ANGIOGENIC COMPOUNDS University College Dublin National University Of Ireland, Dublin (IE) 2016-11-23 — — EP disclosed
US-20160326122-A1 Anti-Angiogenic Compounds UNIVERSITY COLLEGE DUBLIN - NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-11-10 — — US disclosed
WO-2015107122-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN - NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2015-07-23 — — 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-20160326122-A1 Anti-Angiogenic Compounds VEGFA, FLT4, FLT1 KMT2A 4855/4885MEN1 3923/4885RAB9A 1177/4885

“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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