SCHEMBL3173442

SCHEMBL3173442

N#Cc1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.60
VCAM1 P19320 3/20 0.59
LMNA P02545 6/20 0.51
ALDH1A1 P00352 5/20 0.51
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCL6 P41182 1/20 0.41
BCOR Q6W2J9 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
SCHEMBL3840607 0.85 VCAM1 (0.64) XDHVCAM1LMNAALDH1A1TSHR
SCHEMBL73860 0.82 VCAM1 (0.70) XDHVCAM1LMNAALDH1A1TSHR
Fluoride SCHEMBL28259583 0.81 VCAM1 (0.68) XDHVCAM1LMNAALDH1A1TSHR
SCHEMBL82629 0.79 VCAM1 (0.66) XDHVCAM1LMNAALDH1A1TSHR
SCHEMBL698847 0.79 VCAM1 (0.66) XDHVCAM1LMNAALDH1A1TSHR
SCHEMBL2477528 0.78 VCAM1 (0.74) XDHVCAM1LMNAALDH1A1TSHR
SCHEMBL1179904 0.78 VCAM1 (0.59) XDHVCAM1LMNAALDH1A1TSHR
SCHEMBL361867 0.78 VCAM1 (0.59) XDHVCAM1LMNAALDH1A1TSHR
SCHEMBL361541 0.78 VCAM1 (0.59) XDHVCAM1LMNAALDH1A1TSHR
SCHEMBL1232789 0.78 ALDH1A1 (0.60) XDHVCAM1LMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057452-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS CATYLIX, INC. (US) 2015-02-26 US disclosed
US-20150057452-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS CATYLIX, INC. (US) 2015-02-26 US disclosed
EP-2834216-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS Catylix Inc. (US) 2015-02-11 EP disclosed
WO-2013152170-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS CATYLIX, INC. (US) 2013-10-10 WO disclosed
WO-2013152170-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS CATYLIX, INC. (US) 2013-10-10 WO 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-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20060223832-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-10-05 US disclosed
EP-1458723-A4 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 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
CN-1589271-A Fused heterocyclic succinimide compounds and analogs thereof as modulators of nuclear hormone receptor function BRISTOL MYERS SQUIBB CO (US) 2005-03-02 CN 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 XDH 2121/4885VCAM1 3648/4885LMNA 2602/4885
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 XDH 3201/4885VCAM1 3646/4885LMNA 3449/4885
US-20060223832-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 XDH 3201/4885VCAM1 3646/4885LMNA 3449/4885
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 XDH 3201/4885VCAM1 3646/4885LMNA 3449/4885
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 XDH 3201/4885VCAM1 3646/4885LMNA 3449/4885
US-20150057452-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 XDH 4676/4885VCAM1 4181/4885LMNA 4227/4885

“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.