SCHEMBL12281111

SCHEMBL12281111

CCOc1cccc(/C=C/c2ccc3cccc(OC)c3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 16/20 0.60
MEN1 O00255 14/20 0.60
NPC1 O15118 10/20 0.60
AGTR1 P30556 3/20 0.60
HSP90AA1 P07900 1/20 0.60
ECE2 P0DPD6 1/20 0.60
MAPT P10636 6/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 6/20 0.53
POLB P06746 2/20 0.53
OPRK1 P41145 1/20 0.53
ATM Q13315 2/20 0.51
CYSLTR2 Q9NS75 2/20 0.50
CYSLTR1 Q9Y271 2/20 0.50
LMNA P02545 4/20 0.48
GAA P10253 2/20 0.48

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
SCHEMBL12281168 0.86 KMT2A (0.59) KMT2AMEN1NPC1AGTR1HSP90AA1
SCHEMBL27470619 0.81 KMT2A (0.68) KMT2AMEN1NPC1AGTR1HSP90AA1
SCHEMBL19076207 0.81 KMT2A (0.68) KMT2AMEN1NPC1AGTR1HSP90AA1
SCHEMBL12281443 0.79 KMT2A (0.62) KMT2AMEN1NPC1AGTR1HSP90AA1
SCHEMBL12281839 0.77 AGTR1 (0.79) KMT2AMEN1NPC1AGTR1HSP90AA1
SCHEMBL14681421 0.77 KMT2A (0.60) KMT2AMEN1NPC1AGTR1HSP90AA1
SCHEMBL12281824 0.76 MEN1 (0.75) KMT2AMEN1NPC1AGTR1HSP90AA1
SCHEMBL19076263 0.76 KMT2A (0.65) KMT2AMEN1NPC1AGTR1HSP90AA1
SCHEMBL12281247 0.75 KMT2A (0.69) KMT2AMEN1NPC1AGTR1HSP90AA1
SCHEMBL12281165 0.75 MEN1 (1.00) KMT2AMEN1NPC1AGTR1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225610-A1 ANTIMETASTATIC COMPOUNDS HANSEN MARC (US) 2013-08-29 US disclosed
US-20130225610-A1 ANTIMETASTATIC COMPOUNDS HANSEN MARC (US) 2013-08-29 US disclosed
US-8481553-B2 Antimetastatic compounds BRIGHAM YOUNG UNIVERSITY (US) 2013-07-09 US disclosed
US-8481553-B2 Antimetastatic compounds BRIGHAM YOUNG UNIVERSITY (US) 2013-07-09 US disclosed
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-02-07 US disclosed
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-02-07 US disclosed
WO-2011127192-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2011-10-13 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 (2 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-20130225610-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF KMT2A 3928/4885MEN1 391/4885NPC1 1073/4885
US-20130035348-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF KMT2A 3928/4885MEN1 391/4885NPC1 1073/4885

“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.