SCHEMBL5875455

SCHEMBL5875455

COc1ccc(CN2C(=O)c3c(n(Cc4ccccc4)c(=O)n3Cc3ccccc3)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.58
P2RX4 Q99571 1/20 0.56
CMA1 P23946 1/20 0.55
RGS4 P49798 1/20 0.54
RGS8 P57771 1/20 0.54
KDM4E B2RXH2 1/20 0.53
EP300 Q09472 1/20 0.53
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
PIM1 P11309 2/20 0.51
MEN1 O00255 1/20 0.50
APAF1 O14727 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL5891433 1.00 CASP3 (0.58) CASP3P2RX4CMA1RGS4RGS8
SCHEMBL5875112 0.86 ELANE (0.55) CASP3P2RX4CMA1RGS4KDM4E
SCHEMBL5891372 0.81 GAA (0.50) KDM4EGAASMN1; SMN2POLBPIM1
SCHEMBL45154 0.79 CASP3 (0.88) CASP3CMA1KDM4EGAAMEN1
SCHEMBL30296449 0.79 CASP3 (0.88) CASP3CMA1KDM4EGAAMEN1
SCHEMBL28080906 0.78 NR1H2 (0.71) CASP3CMA1KDM4EEP300NR1H2
SCHEMBL30320663 0.78 NR1H2 (0.71) CASP3CMA1KDM4EEP300NR1H2
SCHEMBL320830 0.76 RGS4 (0.53) P2RX4CMA1RGS4RGS8KDM4E
SCHEMBL11257792 0.75 MEN1 (0.64) P2RX4GAASMN1; SMN2POLBMAPK1
SCHEMBL8331785 0.75 CMA1 (0.70) CASP3CMA1KDM4EGSK3AGSK3B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071355-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-07-04 US claimed
JP-2006511564-A 2006-04-06 JP claimed
EP-1581477-A1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2005-10-05 EP claimed
US-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2004-09-09 US claimed
WO-2004056746-A1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-07-08 WO claimed
US-7071355-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-07-04 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 (1 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-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents MSR1, PPARG, PPARA CASP3 2182/4885P2RX4 555/4885CMA1 3794/4885

“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.