SCHEMBL3223243

SCHEMBL3223243

COc1ccc(Cn2ccc3ccccc3c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
TP53 P04637 3/20 0.57
LMNA P02545 2/20 0.57
P2RX4 Q99571 1/20 0.52
CASP3 P42574 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHRM1 P11229 1/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CMA1 P23946 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
GRM2 Q14416 1/20 0.47

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
SCHEMBL28061855 0.84 MAPT (0.62) MAPTTP53LMNAP2RX4TDP1
SCHEMBL8543010 0.83 MAPT (0.58) MAPTTP53LMNAPOLBKDM4E
SCHEMBL1757848 0.83 ACHE (0.59) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL29809414 0.83 ACHE (0.59) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL31667662 0.83 POLB (0.51) MAPTTP53LMNAP2RX4POLB
SCHEMBL31667461 0.82 MAPK14 (0.56) TP53KDM4EMEN1KMT2A
SCHEMBL31006514 0.82 ROCK2 (0.60) MAPTTP53LMNAPOLBGRM2
SCHEMBL29283819 0.82 ROCK2 (0.60) MAPTTP53LMNAPOLBGRM2
SCHEMBL1412098 0.81 LMNA (0.53) MAPTTP53LMNAPOLBKDM4E
SCHEMBL1571627 0.81 MAPT (0.52) MAPTTP53LMNAPOLBCMA1

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
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
EP-2125745-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 EP disclosed
WO-2008077551-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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-20100056568-A1 Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives MYLK2, MYLK, MYLK3 MAPT 1428/4885TP53 2795/4885LMNA 1555/4885
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES MYLK, MYLK2, MYLK3 MAPT 1596/4885TP53 2765/4885LMNA 1716/4885

“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.