SCHEMBL13729342

SCHEMBL13729342

CC(C)(CC(=O)O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP3A4 P08684 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
SCHEMBL19156579 0.87 CYP2C19 (0.41) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL9806386 0.83 PDK1 (0.54) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL2294500 0.82 KMT2A (0.47) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL11657337 0.80 PDK1 (0.54) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL14247107 0.80 KMT2A (0.49) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL10696434 0.80 KMT2A (0.53) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL10868680 0.80 MEN1 (0.49) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL5693295 0.80 KMT2A (0.50) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL24187914 0.78 PDK1 (0.55) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL4867823 0.78 KMT2A (0.51) KMT2AMEN1PDK1PDK2PDK3

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
EP-2705039-B1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed
US-9422292-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
US-9422292-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
US-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
EP-2705039-A2 BROMODOMAIN INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed
WO-2012151512-A2 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
WO-2012151512-A2 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-11-08 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 (1 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-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT KMT2A 215/4885MEN1 3240/4885PDK1 1168/4885

“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.