SCHEMBL528593

SCHEMBL528593

[2H]C([2H])(Br)c1c(C(=O)OC)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 3/20 0.55
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 3/20 0.54
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSD P07339 1/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL528555 0.92 ALDH1A1 (0.58) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL332011 0.89 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL27431445 0.86 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL10192631 0.84 ALDH1A1 (0.58) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL8113842 0.83 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL27797486 0.83 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL17144681 0.82 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL11048095 0.81 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL20916593 0.81 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1KDM4EPKM
SCHEMBL27862572 0.81 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1KDM4EPKM

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
US-20150336927-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-11-26 US disclosed
US-9045453-B2 Substituted dioxopiperidinyl phthalimide derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-06-02 US disclosed
WO-2014110322-A2 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2014-07-17 WO disclosed
EP-2373165-B1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIES CONCERT PHARMACEUTICALS INC (US) 2013-10-30 EP disclosed
WO-2012015986-A2 SUBSTITUTED DIOXOPIPERIDINYL PHTALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-02-02 WO disclosed
US-20110288126-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110288126-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
EP-2373165-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIES CONCERT PHARMACEUTICALS, INC. (US) 2011-10-12 EP disclosed
WO-2010056344-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIES CONCERT PHARMACEUTICALS INC. (US) 2010-05-20 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 (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-20110288126-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES NFATC1, PDCD11, IL5 ALDH1A1 1306/4885MAPT 863/4885MAPK1 3843/4885
US-20150336927-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES NFATC1, PDCD11, IL5 ALDH1A1 1306/4885MAPT 863/4885MAPK1 3843/4885

“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.