SCHEMBL1033074

SCHEMBL1033074

Cc1cccc(-c2cc3ccccc3c(=O)n2Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
TP53 P04637 3/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 3/20 0.48
CNR1 P21554 1/20 0.48
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK8 P45983 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
F11 P03951 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL1033163 0.95 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNARECQLRAB9A
SCHEMBL1032272 0.94 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNARECQLRAB9A
SCHEMBL1031077 0.91 TP53 (0.50) ALDH1A1SMN1; SMN2LMNARECQLRAB9A
SCHEMBL1034229 0.91 TP53 (0.50) ALDH1A1SMN1; SMN2LMNARECQLRAB9A
SCHEMBL1034613 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNARECQLRAB9A
SCHEMBL1033487 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNARECQLRAB9A
SCHEMBL1035227 0.85 CNR1 (0.49) ALDH1A1SMN1; SMN2LMNARECQLRAB9A
SCHEMBL1031040 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL1034629 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL1030913 0.84 CNR1 (0.53) ALDH1A1SMN1; SMN2LMNARECQLRAB9A

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 601/4885SMN1; SMN2 2403/4885LMNA 1526/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 ALDH1A1 415/4885SMN1; SMN2 2375/4885LMNA 1596/4885

“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.