SCHEMBL1034738

SCHEMBL1034738

CCSc1cc(-c2coc(-c3cc4cccc(Cl)c4c(=O)n3Cc3ccc(F)cc3F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
DDR1 Q08345 3/20 0.33
ADORA2A P29274 1/20 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
SCHEMBL1035092 0.92 RXRA (0.37) RXRANR1H2NR1H3ADORA2A
SCHEMBL1030986 0.90 RXRA (0.35) RXRANR1H2NR1H3DDR1
SCHEMBL1033495 0.88 RXRA (0.38) RXRANR1H2NR1H3DDR1
SCHEMBL1035131 0.80 NR1H2 (0.39) RXRANR1H2NR1H3ADORA2A
SCHEMBL1033894 0.80 RXRA (0.39) RXRANR1H2NR1H3ADORA2A
SCHEMBL1033338 0.80 NR1H2 (0.37) RXRANR1H2NR1H3
SCHEMBL1034887 0.79 RXRA (0.41) RXRANR1H2NR1H3
SCHEMBL1033684 0.79 PTGS2 (0.41) RXRANR1H2NR1H3ADORA2A
SCHEMBL1033124 0.79 MAPK14 (0.35) RXRANR1H2NR1H3ADORA2A
SCHEMBL6187391 0.79 RXRA (0.40) RXRANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572660-B1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X CEPTOR THERAPEUTICS INC (US) 2011-01-26 EP disclosed
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents EXELIXIS, INC. (US) 2008-06-05 US disclosed
US-7265131-B2 Isoquinolinone derivatives and their use as therapeutic agents EXELIXIS, INC. (US) 2007-09-04 US disclosed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 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 (2 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-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents NR1H2, NR1H3, NR1I2 RXRA 25/4885NR1H2 1/4885NR1H3 2/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 RXRA 17/4885NR1H2 1/4885NR1H3 3/4885

“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.