SCHEMBL1034229

SCHEMBL1034229

Cc1cccc(-c2cc3ccc(C)cc3c(=O)n2Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
MAPK8 P45983 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CNR1 P21554 1/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DHFR P00374 2/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL1034629 0.94 ALDH1A1 (0.44) TP53MAPK8ALDH1A1KMT2AMEN1
SCHEMBL1031501 0.94 CNR1 (0.53) MAPK8ALDH1A1KMT2AMEN1CNR1
SCHEMBL1033074 0.91 ALDH1A1 (0.51) TP53MAPK8ALDH1A1KMT2AMEN1
SCHEMBL1031077 0.90 TP53 (0.50) TP53MAPK8ALDH1A1KMT2AMEN1
SCHEMBL1034939 0.90 ALDH1A1 (0.51) TP53MAPK8ALDH1A1KMT2AMEN1
SCHEMBL1032272 0.88 ALDH1A1 (0.49) TP53ALDH1A1KMT2AMEN1LMNA
SCHEMBL1033163 0.86 ALDH1A1 (0.48) TP53ALDH1A1KMT2AMEN1CNR1
SCHEMBL1033098 0.84 GAA (0.39) TP53ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1031040 0.84 ALDH1A1 (0.44) TP53MAPK8ALDH1A1KMT2AMEN1
SCHEMBL1034066 0.83 KMT2A (0.48) MAPK8ALDH1A1KMT2AMEN1CNR1

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 TP53 921/4885MAPK8 2196/4885ALDH1A1 601/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 TP53 1357/4885MAPK8 2249/4885ALDH1A1 415/4885

“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.