SCHEMBL3192020

SCHEMBL3192020

Nc1ccc([N+](=O)[O-])c2c(Cl)cccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.46
NR4A2 P43354 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 3/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PDE7A Q13946 3/20 0.40
VCAM1 P19320 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8689065 0.86 TDP1 (0.57) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11812795 0.84 TDP1 (0.50) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4871313 0.81 TDP1 (0.61) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3179229 0.80 TDP1 (0.46) TDP1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL5071420 0.79 TDP1 (0.57) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8687514 0.77 TDP1 (0.61) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9746830 0.77 TDP1 (0.50) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11781264 0.77 TDP1 (0.50) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9055020 0.76 TDP1 (0.42) TDP1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL11226695 0.76 ALDH1A1 (0.51) TDP1ALDH1A1MEN1KMT2AKDM4E

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
EP-1854798-A2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function Bristol-Myers Squibb Company (US) 2007-11-14 EP disclosed
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-08 US disclosed
US-6953679-B2 Method for the preparation of fused heterocyclic succinimide compounds and analogs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-11 US disclosed
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-09-01 US disclosed
US-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US disclosed
EP-1458723-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristols-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US disclosed
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2003062241-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-31 WO disclosed
EP-1319007-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-06-18 EP disclosed
WO-2002024702-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-28 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 (5 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-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF SUCNR1, SHBG, FSHR TDP1 4457/4885NR4A2 18/4885ALDH1A1 1888/4885
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TDP1 4323/4885NR4A2 13/4885ALDH1A1 3219/4885
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TDP1 4323/4885NR4A2 13/4885ALDH1A1 3219/4885
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TDP1 4323/4885NR4A2 13/4885ALDH1A1 3219/4885
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TDP1 4323/4885NR4A2 13/4885ALDH1A1 3219/4885

“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.