SCHEMBL5865653

SCHEMBL5865653

O=[N+]([O-])c1ccc(C(=C(Cl)Cl)c2ccc(Br)cc2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
GPR35 Q9HC97 1/20 0.47
MAPK1 P28482 3/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
VCAM1 P19320 2/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42

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) ALDH1A1MAPTLMNAGPR35MAPK1
SCHEMBL5865633 0.88 TSHR (0.59) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL5865690 0.87 GPR35 (0.49) ALDH1A1MAPTLMNAHTTGPR35
SCHEMBL5865402 0.84 GPR35 (0.53) ALDH1A1MAPTLMNACYP2D6GPR35
SCHEMBL5865249 0.79 TSHR (0.50) ALDH1A1MAPTCYP3A4GPR35MAPK1
SCHEMBL31590506 0.79 TSHR (0.58) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL3544563 0.79 TSHR (0.58) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL2485012 0.77 TSHR (0.64) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL31312499 0.77 TSHR (0.64) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL5865568 0.77 GPR35 (0.51) ALDH1A1MAPTCYP3A4CYP2D6GPR35

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 ALDH1A1 570/4885MAPT 4158/4885LMNA 4842/4885

“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.