SCHEMBL1035149

SCHEMBL1035149

O=c1c2cc(F)ccc2cc(-c2ccc(O)cc2)n1Cc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
PCSK9 Q8NBP7 1/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
TLR7 Q9NYK1 1/20 0.38
MAOB P27338 1/20 0.37
ADORA2A P29274 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
ADORA2B P29275 1/20 0.35
DHODH Q02127 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL1034809 0.84 RXRA (0.65) RXRANR1H2NR1H3PTGDR2DHODH
SCHEMBL1034194 0.80 RXRA (0.42) RXRANR1H2NR1H3PCSK9MAOB
SCHEMBL1031994 0.78 RXRA (0.47) RXRANR1H2NR1H3TLR7KDM4E
SCHEMBL4899639 0.76 RXRA (0.74) RXRANR1H2NR1H3KDM4EGAA
SCHEMBL1031998 0.76 RXRA (0.60) RXRANR1H2NR1H3PTGDR2DHODH
SCHEMBL1030519 0.74 RXRA (0.53) RXRANR1H2NR1H3KDM4EMAPK14
SCHEMBL2389286 0.73 RXRA (0.84) RXRANR1H2NR1H3KDM4EGAA
SCHEMBL1033937 0.71 RXRA (0.63) RXRANR1H2NR1H3PTGDR2DHODH
SCHEMBL1032774 0.70 BCL2 (0.41) KDM4EGAA
SCHEMBL1032777 0.69 MEN1 (0.50) ADORA2AKDM4ESMN1; SMN2GAA

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
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
EP-1572660-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-09-14 EP disclosed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US disclosed
WO-2004058717-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2004-07-15 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 (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.