SCHEMBL5865670

SCHEMBL5865670

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.62
GPR35 Q9HC97 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
RAF1 P04049 1/20 0.50
MAPK1 P28482 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
HSP90AA1 P07900 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL5865653 0.88 ALDH1A1 (0.48) VCAM1GPR35ALDH1A1MAPTHPGD
SCHEMBL5865624 0.88 VCAM1 (0.66) VCAM1GPR35ALDH1A1MAPTHPGD
SCHEMBL5865402 0.87 GPR35 (0.53) VCAM1GPR35ALDH1A1MAPTLMNA
SCHEMBL25962639 0.85 VCAM1 (0.81) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL5865690 0.84 GPR35 (0.49) VCAM1GPR35ALDH1A1MAPTLMNA
SCHEMBL1981879 0.81 VCAM1 (0.60) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL5865568 0.79 GPR35 (0.51) VCAM1GPR35ALDH1A1MAPTMAPK1
SCHEMBL922714 0.79 VCAM1 (0.77) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL1455196 0.79 KMT2A (0.73) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL1258621 0.77 VCAM1 (1.00) VCAM1ALDH1A1MAPTHPGDLMNA

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 VCAM1 1388/4885GPR35 263/4885ALDH1A1 570/4885

“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.