SCHEMBL5865633

SCHEMBL5865633

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
MAPK1 P28482 2/20 0.59
CYP3A4 P08684 2/20 0.53
ATM Q13315 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
GPR35 Q9HC97 1/20 0.50
GAA P10253 2/20 0.49
HPGD P15428 1/20 0.49
VCAM1 P19320 2/20 0.49
POLB P06746 1/20 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) TSHRMAPK1CYP3A4ALDH1A1LMNA
SCHEMBL5865624 0.88 VCAM1 (0.66) TSHRMAPK1CYP3A4ATML3MBTL1
SCHEMBL5865249 0.85 TSHR (0.50) TSHRMAPK1CYP3A4ATML3MBTL1
SCHEMBL18547069 0.84 VCAM1 (0.65) TSHRMAPK1CYP3A4ATMALDH1A1
SCHEMBL5865568 0.82 GPR35 (0.51) TSHRMAPK1CYP3A4ATML3MBTL1
SCHEMBL3544563 0.82 TSHR (0.58) TSHRMAPK1CYP3A4ALDH1A1LMNA
SCHEMBL31590506 0.82 TSHR (0.58) TSHRMAPK1CYP3A4ALDH1A1LMNA
SCHEMBL360051 0.78 CASP6 (0.70) TSHRMAPK1CYP3A4ALDH1A1LMNA
Hydrochloric Acid SCHEMBL11549591 0.77 CASP6 (0.68) TSHRMAPK1CYP3A4ALDH1A1LMNA
SCHEMBL340544 0.77 MAPT (0.58) TSHRMAPK1CYP3A4ATML3MBTL1

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 2454/4885CYP3A4 519/4885

“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.