SCHEMBL5119353

SCHEMBL5119353

O=C1Nc2ccc(Br)c(Cl)c2C(c2ccc(F)cc2)O1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ PGR P06401 7/20 0.33
▸ FADS1 O60427 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ NR3C1 P04150 2/20 0.30
▸ AR P10275 2/20 0.30

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
SCHEMBL5117969 0.78 PBRM1 (0.41) CA2TDP1FADS1ALDH1A1KMT2A
SCHEMBL5111692 0.75 PDE3B (0.34) PGR
SCHEMBL5124908 0.73 NR3C1 (0.30) NR3C1
SCHEMBL5112202 0.71 ABCC9 (0.34) —
SCHEMBL11040315 0.70 CA2 (0.67) CA2TDP1FADS1GSK3BBACE1
SCHEMBL31727742 0.65 TDP1 (0.41) TDP1ALDH1A1GSK3BBACE1KMT2A
SCHEMBL31180367 0.62 HTR2A (0.37) —
SCHEMBL898510 0.60 CA2 (0.67) CA2TDP1USP2ALDH1A1CYP2C9
SCHEMBL10549629 0.60 CA2 (0.67) CA2PGRALDH1A1KMT2A
SCHEMBL5115070 0.59 PGR (0.47) PGRNR3C1AR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442696-B2 Mineralocorticoid receptor modulator compounds, processes for their preparation, and their uses LIGAND PHARMACEUTICALS, INC. (US) 2008-10-28 — — US disclosed
US-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES LIGAND PHARMACEUTICALS INC. 2007-08-23 — — US disclosed
WO-2006010142-A2 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 2006-01-26 — — 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-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES NR3C2, MC2R, NR3C1 CA2 1423/4885TDP1 4867/4885PGR 194/4885

“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.

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