SCHEMBL5502501

SCHEMBL5502501

COc1c(C#N)cccc1-c1cc2c(cc1Cl)NC(C)(C)C=C2C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.45
▸ AR P10275 4/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HSD17B10 Q99714 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NR3C1 P04150 3/20 0.39
▸ NR3C2 P08235 2/20 0.39

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
SCHEMBL5498189 0.80 PGR (0.47) PGRARNR3C1NR3C2
SCHEMBL5124695 0.74 PGR (0.49) PGRNR3C1
SCHEMBL5500684 0.74 PGR (0.46) PGRARALDH1A1MEN1KMT2A
SCHEMBL5125881 0.72 PGR (0.49) PGRARNR3C1NR3C2
SCHEMBL4180012 0.71 PGR (0.56) PGRARALDH1A1KDM4EMAPT
SCHEMBL4182318 0.70 PGR (0.66) PGRARALDH1A1KDM4EMAPT
SCHEMBL5496965 0.69 KDM4E (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4704892 0.66 PGR (0.59) PGRARALDH1A1KDM4EMAPT
SCHEMBL30973139 0.66 KDM4E (0.83) PGRARALDH1A1KDM4EMAPT
SCHEMBL5500123 0.65 NR3C1 (0.59) PGRARMAPTLMNANR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 — — US claimed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 — — EP claimed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 — — WO claimed
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 — — US disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 — — EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 — — 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 PGR 953/4885AR 486/4885ALDH1A1 4580/4885

“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.

Send feedback