SCHEMBL10165370

SCHEMBL10165370

Cc1cn(CC(=O)C(C)(C)C)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
STAT3 P40763 1/20 0.45

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
SCHEMBL8530610 0.83 KMT2A (0.69) KMT2AMEN1ALDH1A1KDM4EHDAC1
SCHEMBL3307798 0.83 KMT2A (0.74) KMT2AMEN1ALDH1A1KDM4EHDAC1
SCHEMBL8531490 0.82 KMT2A (0.68) KMT2AMEN1ALDH1A1KDM4EHDAC1
SCHEMBL8530934 0.82 MEN1 (0.59) KMT2AMEN1ALDH1A1KDM4EHDAC1
SCHEMBL10165570 0.81 MEN1 (0.44) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10203422 0.81 KMT2A (0.66) KMT2AMEN1ALDH1A1KDM4EHDAC1
SCHEMBL10165552 0.79 HTR2A (0.51) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6224417 0.79 KMT2A (1.00) KMT2AMEN1ALDH1A1KDM4EHDAC1
SCHEMBL8531844 0.79 GAA (0.69) KMT2AMEN1ALDH1A1KDM4EHDAC1
SCHEMBL8532599 0.79 KMT2A (0.64) KMT2AMEN1ALDH1A1HDAC1HDAC2

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-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 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 (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-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B KMT2A 2348/4885MEN1 3385/4885ALDH1A1 3359/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B KMT2A 2348/4885MEN1 3385/4885ALDH1A1 3359/4885

“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.