SCHEMBL5865501

SCHEMBL5865501

FC(F)(F)c1ccc(C(=C(Cl)Cl)c2ccc(Br)cc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KMO O15229 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
KIF11 P52732 1/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
SCN9A Q15858 1/20 0.34
RAPGEF3 O95398 2/20 0.33

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
SCHEMBL5865640 0.88 NPFFR2 (0.44) CYP3A4TSHRMAPK1ATML3MBTL1
SCHEMBL5865618 0.87 CYP3A4 (0.57) CYP3A4TSHRMAPK1ATML3MBTL1
SCHEMBL5865631 0.86 NOTUM (0.53) CYP3A4TSHRMAPK1ATML3MBTL1
SCHEMBL5865578 0.84 MAPT (0.46) CYP3A4TSHRMAPK1ATML3MBTL1
SCHEMBL5865588 0.78 CYP3A4 (0.53) CYP3A4TSHRMAPK1ATML3MBTL1
SCHEMBL10532934 0.76 KMO (0.43) TSHRNOTUMKMOKIF11MRGPRX4
SCHEMBL5865199 0.76 CYP3A4 (0.55) CYP3A4TSHRMAPK1ATML3MBTL1
SCHEMBL29589267 0.75 NT5E (0.46) CYP3A4TSHRMAPK1NOTUMKMO
SCHEMBL585377 0.75 NT5E (0.46) CYP3A4TSHRMAPK1NOTUMKMO
SCHEMBL9494805 0.75 TSHR (0.59) CYP3A4TSHRMAPK1ATML3MBTL1

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 CYP3A4 519/4885TSHR 118/4885MAPK1 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.