SCHEMBL1032947

SCHEMBL1032947

Cc1ccc(Cn2c(-c3ccccc3)cc3cccc(C)c3c2=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
GRIN2B Q13224 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1031777 0.93 GAA (0.36) CNR1LMNARAB9AHTTSMN1; SMN2
SCHEMBL1033257 0.91 CNR1 (0.39) CNR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL1033921 0.90 RXRA (0.42) CNR1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL1033050 0.90 KDM4E (0.43) CNR1LMNARAB9AHTTSMN1; SMN2
SCHEMBL1034168 0.85 BCL2 (0.43) CNR1LMNARAB9AHTTSMN1; SMN2
SCHEMBL1034937 0.85 CNR1 (0.50) CNR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL1032976 0.84 CNR1 (0.56) CNR1LMNARAB9AHTTSMN1; SMN2
SCHEMBL1031466 0.83 BCL2 (0.43) CNR1LMNARAB9AHTTSMN1; SMN2
SCHEMBL1032972 0.83 BCL2 (0.43) CNR1LMNARAB9AHTTSMN1; SMN2
SCHEMBL1031668 0.83 PBRM1 (0.39) CNR1LMNAHTTKDM4EALDH1A1

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 12 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 claimed
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents EXELIXIS, INC. (US) 2008-06-05 US claimed
US-7265131-B2 Isoquinolinone derivatives and their use as therapeutic agents EXELIXIS, INC. (US) 2007-09-04 US claimed
EP-1572660-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-09-14 EP claimed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US claimed
WO-2004058717-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2004-07-15 WO claimed
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 CNR1 78/4885LMNA 1526/4885RAB9A 1194/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 CNR1 125/4885LMNA 1596/4885RAB9A 1242/4885

“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.