SCHEMBL4353181

SCHEMBL4353181

CCN1CCc2c(-c3cc(I)ccc3OC)cc3c(c2C1)NC(=O)/C3=N/O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.35
CYP3A4 P08684 1/20 0.32
NPC1 O15118 1/20 0.32
MDM4 O15151 1/20 0.32
JAK2 O60674 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
MDM2 Q00987 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAD52 P43351 2/20 0.31
PSMD14 O00487 1/20 0.31
KMT2A Q03164 1/20 0.31
LRRK2 Q5S007 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL4353183 1.00 PARP1 (0.35) PARP1CYP3A4NPC1MDM4JAK2
SCHEMBL3016791 0.89 CCNT1 (0.39) PARP1
SCHEMBL8126173 0.89 CCNT1 (0.39) PARP1
SCHEMBL3025548 0.89 F12 (0.38) PARP1LMNAGAARAD52
SCHEMBL3025551 0.89 F12 (0.38) PARP1LMNAGAARAD52
SCHEMBL3016788 0.89 CCNT1 (0.39) PARP1
SCHEMBL4352645 0.88 MAPT (0.36) PARP1GAAMAPTKMT2ALRRK2
SCHEMBL4352647 0.88 MAPT (0.36) PARP1GAAMAPTKMT2ALRRK2
SCHEMBL4349102 0.88 PARP1 (0.40) PARP1CYP3A4RAD52PSMD14KMT2A
SCHEMBL3020890 0.88 PARP1 (0.40) PARP1CYP3A4RAD52PSMD14KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US claimed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
WO-2008144931-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-04 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 (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-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS ASIC1, ASIC3, TRPV1 PARP1 4563/4885CYP3A4 4183/4885NPC1 724/4885

“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.