SCHEMBL13729331

SCHEMBL13729331

COC(=O)CC(=O)N(Cc1ccccc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SNCA P37840 1/20 0.42
THRB P10828 1/20 0.41
AR P10275 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL15695027 0.87 ALDH1A1 (0.47) ALDH1A1LMNAKDM4ETRPM8KMT2A
SCHEMBL13729336 0.87 KDM4E (0.48) ALDH1A1LMNAKDM4ETRPM8KMT2A
SCHEMBL13729340 0.87 KDM4E (0.48) ALDH1A1LMNAKDM4ETRPM8KMT2A
SCHEMBL8428777 0.80 ALDH1A1 (0.42) ALDH1A1LMNAKMT2AMEN1SNCA
SCHEMBL13728156 0.79 TRPM8 (0.49) ALDH1A1KDM4ETRPM8KMT2AMEN1
SCHEMBL7319630 0.79 ALDH1A1 (0.47) ALDH1A1LMNAKDM4ETRPM8KMT2A
SCHEMBL7319626 0.78 ALDH1A1 (0.48) ALDH1A1LMNAKDM4ETRPM8KMT2A
SCHEMBL11479238 0.78 CYP1A2 (0.43) ALDH1A1LMNAKDM4ETRPM8KMT2A
SCHEMBL5461474 0.77 NPC1 (0.61) ALDH1A1TRPM8KMT2AMEN1
SCHEMBL11299323 0.75 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EKMT2AL3MBTL1

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
EP-2705039-B1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed
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 ALDH1A1 3348/4885LMNA 2700/4885KDM4E 508/4885

“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.