SCHEMBL1034629

SCHEMBL1034629

Cc1ccc(Cn2c(-c3cccc(C)c3)cc3ccc(C)cc3c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK8 P45983 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
P2RX4 Q99571 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CNR1 P21554 1/20 0.40
DHFR P00374 1/20 0.40

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
SCHEMBL1034229 0.94 TP53 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK8
SCHEMBL1032272 0.91 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1034939 0.91 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1031040 0.90 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1031501 0.87 CNR1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK8
SCHEMBL1033098 0.85 GAA (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1033163 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1033074 0.85 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK8
SCHEMBL1031077 0.84 TP53 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK8
SCHEMBL1034960 0.82 MEN1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1

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 10 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
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US 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 ALDH1A1 601/4885MEN1 4349/4885KMT2A 3097/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 ALDH1A1 415/4885MEN1 4476/4885KMT2A 3367/4885

“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.