SCHEMBL5865249

SCHEMBL5865249

O=[N+]([O-])c1ccc(C(=C(Cl)Cl)c2ccc(Cl)cc2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
ATM Q13315 2/20 0.50
CYP3A4 P08684 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GPR35 Q9HC97 1/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
VCAM1 P19320 1/20 0.43
PHGDH O43175 1/20 0.43
CYP19A1 P11511 1/20 0.42
PDE7A Q13946 2/20 0.42
PDE7B Q9NP56 2/20 0.42
MAPT P10636 1/20 0.41
CASP6 P55212 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL5865690 0.90 GPR35 (0.49) TSHRMAPK1GPR35KMT2AMEN1
SCHEMBL5865568 0.88 GPR35 (0.51) TSHRMAPK1ATMCYP3A4L3MBTL1
SCHEMBL5865633 0.85 TSHR (0.59) TSHRMAPK1ATMCYP3A4L3MBTL1
SCHEMBL5865624 0.82 VCAM1 (0.66) TSHRMAPK1ATMCYP3A4L3MBTL1
SCHEMBL11549838 0.81 ALDH1A1 (0.52) TSHRMAPK1GPR35KMT2AMEN1
SCHEMBL5865653 0.79 ALDH1A1 (0.48) TSHRMAPK1CYP3A4GPR35KMT2A
SCHEMBL5865402 0.78 GPR35 (0.53) TSHRMAPK1GPR35KMT2AMEN1
SCHEMBL29473418 0.77 MAPK1 (0.64) TSHRMAPK1L3MBTL1KMT2AMEN1
SCHEMBL1511847 0.77 MAPK1 (0.64) TSHRMAPK1L3MBTL1KMT2AMEN1
SCHEMBL5865670 0.77 VCAM1 (0.62) MAPK1GPR35KMT2AMEN1VCAM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091248-B2 Treatment of adrenocortical hypersecretion and tumor growth BRANDT INGVAR 2006-08-15 US disclosed
US-20040242705-A1 Novel treatment of adrenocortical hypersecretion and tumour growth BRANDT INGVAR (SE) 2004-12-02 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-20040242705-A1 Novel treatment of adrenocortical hypersecretion and tumour growth NR3C2, NR5A1, NR3C1 TSHR 118/4885MAPK1 2454/4885ATM 3255/4885

“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.