SCHEMBL5865624

SCHEMBL5865624

O=[N+]([O-])c1cc(C(=C(Cl)Cl)c2ccc(Cl)cc2)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.66
GPR35 Q9HC97 1/20 0.54
MAPK1 P28482 3/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 2/20 0.52
RAF1 P04049 1/20 0.52
GFER P55789 1/20 0.52
PAX8 Q06710 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSP90AA1 P07900 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL5865670 0.88 VCAM1 (0.62) VCAM1GPR35MAPK1ALDH1A1MAPT
SCHEMBL5865633 0.88 TSHR (0.59) VCAM1GPR35MAPK1CYP3A4TSHR
SCHEMBL5865568 0.85 GPR35 (0.51) VCAM1GPR35MAPK1CYP3A4TSHR
SCHEMBL10383201 0.84 VCAM1 (0.87) VCAM1MAPK1ALDH1A1MAPTHPGD
SCHEMBL5865249 0.82 TSHR (0.50) VCAM1GPR35MAPK1CYP3A4TSHR
SCHEMBL922714 0.82 VCAM1 (0.77) VCAM1MAPK1ALDH1A1MAPTHPGD
SCHEMBL1258621 0.80 VCAM1 (1.00) VCAM1MAPK1ALDH1A1MAPTHPGD
4-Chloro-3-Nitrobenzoic Acid SCHEMBL6101 0.78 VCAM1 (0.77) VCAM1MAPK1TSHRALDH1A1MAPT
4-Chloro-3-Nitrobenzoic Acid SCHEMBL30234086 0.78 VCAM1 (0.77) VCAM1MAPK1TSHRALDH1A1MAPT
SCHEMBL8625340 0.78 VCAM1 (0.96) VCAM1MAPK1ALDH1A1MAPTHPGD

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 VCAM1 1388/4885GPR35 263/4885MAPK1 2454/4885

“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.