SCHEMBL5865690

SCHEMBL5865690

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.49
CASP6 P55212 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
POLB P06746 3/20 0.42
VCAM1 P19320 1/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL5865249 0.90 TSHR (0.50) GPR35CASP6MEN1KMT2APOLB
SCHEMBL5865402 0.88 GPR35 (0.53) GPR35CASP6MEN1KMT2APOLB
SCHEMBL5865653 0.87 ALDH1A1 (0.48) GPR35CASP6MEN1KMT2APOLB
SCHEMBL5865670 0.84 VCAM1 (0.62) GPR35MEN1KMT2AVCAM1MAPT
SCHEMBL11549838 0.82 ALDH1A1 (0.52) GPR35CASP6MEN1KMT2APOLB
SCHEMBL5865568 0.78 GPR35 (0.51) GPR35CASP6MEN1KMT2APOLB
SCHEMBL2722394 0.77 CASP6 (0.70) CASP6MEN1KMT2ATSHRHCAR3
SCHEMBL14656769 0.76 PARP1 (0.60) CASP6KMT2APOLBMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11549840 0.76 CASP6 (0.68) CASP6MEN1KMT2ATSHRHCAR3
SCHEMBL4313890 0.76 MAPK1 (0.52) CASP6MEN1KMT2APOLBMAPT

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 4 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
EP-1412311-A1 NOVEL TREATMENT OF ADRENOCORTICAL HYPERSECRETION AND TUMOUR GROWTH Brandt, Ingvar (SE) 2004-04-28 EP disclosed
WO-2003002495-A1 NOVEL TREATMENT OF ADRENOCORTICAL HYPERSECRETION AND TUMOUR GROWTH BRANDT INGVAR (SE) 2003-01-09 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 (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 GPR35 263/4885CASP6 3129/4885MEN1 899/4885

“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.