SCHEMBL10073073

SCHEMBL10073073

CCOc1ncccc1C(=O)NCCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.80
MEN1 O00255 1/20 0.80
HPGD P15428 3/20 0.62
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
NPC1 O15118 3/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
EGLN1 Q9GZT9 1/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK8 P45983 1/20 0.55

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
SCHEMBL10073077 0.91 KMT2A (0.67) KMT2AMEN1HPGDSMN1; SMN2NPC1
SCHEMBL558028 0.90 KMT2A (0.66) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL10073072 0.88 KMT2A (0.63) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL10073076 0.86 KMT2A (0.61) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL10073078 0.85 IDH1 (0.61) KMT2AMEN1NPC1RAB9AEGLN1
SCHEMBL10073064 0.85 KMT2A (0.60) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL10073050 0.85 MAPK8 (0.77) MAPK8
SCHEMBL10073070 0.83 LMNA (0.80) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL11812817 0.81 KMT2A (0.63) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL557500 0.80 CNR2 (0.56) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US 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-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 KMT2A 4175/4885MEN1 4405/4885HPGD 1656/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 KMT2A 4175/4885MEN1 4405/4885HPGD 1656/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 KMT2A 4175/4885MEN1 4405/4885HPGD 1656/4885

“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.