SCHEMBL1031735

SCHEMBL1031735

CC(=O)Nc1ccc(-c2cc3ccccc3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK8 P45983 1/20 0.46
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
PTPN1 P18031 1/20 0.45
ROCK1 Q13464 1/20 0.45
MAPT P10636 3/20 0.45
MOK Q9UQ07 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PDE10A Q9Y233 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
SCHEMBL16625059 0.89 TP53 (0.52) TSHRTP53TDP1NPC1LMNA
SCHEMBL16578796 0.87 MEN1 (0.50) TSHRTP53TDP1NPC1LMNA
SCHEMBL1034742 0.83 TP53 (0.46) TSHRTP53TDP1NPC1LMNA
SCHEMBL1034613 0.83 ALDH1A1 (0.56) LMNASMN1; SMN2KMT2AMEN1MAPK8
SCHEMBL1032777 0.82 MEN1 (0.50) LMNASMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL1035993 0.79 ALDH1A1 (0.53) TP53TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL1033233 0.77 F11 (0.45) LMNASMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL1033487 0.77 ALDH1A1 (0.55) TP53TDP1LMNASMN1; SMN2KMT2A
SCHEMBL12324355 0.77 MEN1 (0.47) LMNASMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL1034961 0.76 BCL2 (0.48) LMNASMN1; SMN2KMT2AMEN1RAB9A

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 8 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
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US 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 TSHR 304/4885TP53 921/4885TDP1 1798/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 TSHR 615/4885TP53 1357/4885TDP1 1595/4885

“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.