SCHEMBL5114291

SCHEMBL5114291

O=C1Nc2ccc(Br)c(Cl)c2C(Cc2ccc(F)c(F)c2)O1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ DAO P14920 3/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ AR P10275 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL5111455 0.82 SMARCA2 (0.40) CNR1CNR2HDAC2HDAC8HDAC6
SCHEMBL5112202 0.78 ABCC9 (0.34) —
SCHEMBL5114490 0.77 PGR (0.38) PGR
SCHEMBL5111692 0.71 PDE3B (0.34) PARP1PGR
SCHEMBL5119353 0.70 CA2 (0.35) NR3C1PGRARUSP2ALDH1A1
SCHEMBL5124908 0.67 NR3C1 (0.30) NR3C1
SCHEMBL11262445 0.63 MDM2 (0.44) DAOUSP2
SCHEMBL30525239 0.63 MAOB (0.36) —
SCHEMBL5658880 0.62 HTR1D (0.52) CNR1CNR2DAO
SCHEMBL19411809 0.61 PIK3CD (0.45) PGRUSP2ALDH1A1CYP1A2CYP2C9

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-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

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 CNR1 178/4885CNR2 295/4885HDAC2 2113/4885

“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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