SCHEMBL10073078

SCHEMBL10073078

CC(C)CCOc1ncccc1C(=O)NCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.60
EGLN1 Q9GZT9 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PDE10A Q9Y233 1/20 0.52
MAPK8 P45983 1/20 0.51
KCNA5 P22460 2/20 0.50
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL10073076 0.89 KMT2A (0.61) IDH1KMT2AMEN1EGLN1TSHR
SCHEMBL10073077 0.87 KMT2A (0.67) KMT2AMEN1EGLN1TSHRHSD17B10
SCHEMBL558028 0.86 KMT2A (0.66) KMT2AMEN1EGLN1TSHRHSD17B10
SCHEMBL10073064 0.86 KMT2A (0.60) KMT2AMEN1EGLN1TSHRHSD17B10
SCHEMBL10073073 0.85 KMT2A (0.80) KMT2AMEN1EGLN1TSHRHSD17B10
SCHEMBL10073072 0.84 KMT2A (0.63) KMT2AMEN1EGLN1TSHRHSD17B10
SCHEMBL10073067 0.84 LMNA (0.62) KMT2AMEN1ALDH1A1NPC1
SCHEMBL10073050 0.81 MAPK8 (0.77) PDE10AMAPK8ALDH1A1
SCHEMBL11812817 0.77 KMT2A (0.63) KMT2AMEN1EGLN1PDE10AALDH1A1
SCHEMBL557500 0.76 CNR2 (0.56) KMT2AMEN1EGLN1TSHRHSD17B10

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 IDH1 1523/4885KMT2A 4175/4885MEN1 4405/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 IDH1 1523/4885KMT2A 4175/4885MEN1 4405/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 IDH1 1523/4885KMT2A 4175/4885MEN1 4405/4885

“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.