SCHEMBL399100

SCHEMBL399100

Nc1cccc(I)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CYP3A4 P08684 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 4/20 0.38
GPR35 Q9HC97 1/20 0.38
PDE7A Q13946 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR8 Q9NR97 1/20 0.38
LMNA P02545 2/20 0.37

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
SCHEMBL3390153 0.84 TDP1 (0.52) TDP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL11551067 0.84 TDP1 (0.52) TDP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL14054978 0.84 ALDH1A1 (0.52) TDP1ALDH1A1MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL5914596 0.82 TDP1 (0.50) TDP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL30152889 0.79 ALDH1A1 (0.43) TDP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL1161841 0.79 ALDH1A1 (0.43) TDP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL1056952 0.77 TDP1 (0.45) TDP1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL9860246 0.77 TSHR (0.59) TDP1ALDH1A1MEN1KMT2ATSHR
SCHEMBL17934 0.77 TSHR (0.59) TDP1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL11569768 0.75 TSHR (0.43) TDP1ALDH1A1MEN1KMT2ATSHR

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-2043646-B1 (E)-N-{3-(8-Chloro-11H-10-oxa-1-aza- dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-phenyl} -methanesulfonamide as a GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE LILLY CO ELI (US) 2012-05-16 EP disclosed
US-8101760-B2 Glucocorticoid receptor modulator and methods of use ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 US disclosed
CN-101489556-A Glucocorticoid receptor modulators and methods of use LILLY CO ELI (US) 2009-07-22 CN disclosed
EP-2043646-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2009-04-08 EP disclosed
WO-2008008882-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2008-01-17 WO disclosed
US-4473374-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1984-09-25 US disclosed
US-4330291-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-18 US 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-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE NR3C1, NR3C2, MC2R TDP1 4353/4885ALDH1A1 2595/4885MEN1 2489/4885

“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.