SCHEMBL8770869

SCHEMBL8770869

O=C(Nc1ccc(C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1)c1cccc(F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.72
MEN1 O00255 7/20 0.72
NPC1 O15118 6/20 0.72
RAB9A P51151 6/20 0.72
KCNK3 O14649 2/20 0.67
KDM4E B2RXH2 1/20 0.66
CASP3 P42574 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.63
TP53 P04637 2/20 0.63
MAPT P10636 1/20 0.63
TSHR P16473 1/20 0.63
KCNK9 Q9NPC2 1/20 0.61
HPGD P15428 1/20 0.61
KCNQ3 O43525 2/20 0.61
KCNQ2 O43526 2/20 0.61
KCNE1 P15382 1/20 0.61
KCNQ1 P51787 1/20 0.61

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
SCHEMBL18330534 0.93 KCNK3 (0.66) KMT2AMEN1NPC1RAB9AKCNK3
SCHEMBL30739642 0.90 KMT2A (0.86) KMT2AMEN1NPC1RAB9AKCNK3
SCHEMBL6802691 0.89 KMT2A (0.78) KMT2AMEN1NPC1RAB9AKCNK3
SCHEMBL16404741 0.87 HDAC6 (0.75) KMT2AMEN1NPC1RAB9AKCNK3
SCHEMBL5375629 0.87 NPC1 (0.72) KMT2AMEN1NPC1RAB9AKCNK3
SCHEMBL6027951 0.86 MEN1 (0.88) KMT2AMEN1NPC1RAB9AKCNK3
SCHEMBL30643220 0.86 MEN1 (0.88) KMT2AMEN1NPC1RAB9AKCNK3
SCHEMBL4238810 0.86 KMT2A (0.67) KMT2AMEN1NPC1RAB9AKCNK3
SCHEMBL15689250 0.85 NPC1 (0.57) KMT2AMEN1NPC1RAB9AKCNK3
SCHEMBL6748120 0.85 KMT2A (0.70) KMT2AMEN1NPC1RAB9AKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180163061-A1 CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-06-14 US disclosed
US-20180163061-A1 CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-06-14 US disclosed
EP-3309851-A1 CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT ELEMENT Nissan Chemical Industries, Ltd. (JP) 2018-04-18 EP disclosed
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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 (3 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-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KMT2A 806/4885MEN1 1395/4885NPC1 4555/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KMT2A 806/4885MEN1 1395/4885NPC1 4555/4885
US-20180163061-A1 CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT ELEMENT SLCO4C1, SLCO2A1, SLC26A3 KMT2A 1997/4885MEN1 2089/4885NPC1 297/4885

“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.