SCHEMBL887370

SCHEMBL887370

OP1(=S)Nc2ccc3c(c2-c2c(ccc4c2CCCC4)N1)CCCC3

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
CES1 P23141 6/20 0.36
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
KIF11 P52732 1/20 0.32
PNMT P11086 1/20 0.30
CTRC Q99895 1/20 0.30

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
SCHEMBL887289 0.83 PARP1 (0.40) PARP1CES1BCL2L1BADNOS3
SCHEMBL887350 0.74 PARP1 (0.34) PARP1CES1GRIA1GRIA2GRIA3
SCHEMBL1284960 0.66 BCL2L1 (0.58) PARP1CES1BCL2L1BADNOS3
SCHEMBL1278375 0.65 BCL2L1 (0.52) PARP1CES1BCL2L1BADNOS3
SCHEMBL9461283 0.62 BCL2L1 (0.50) PARP1CES1BCL2L1BADNOS3
SCHEMBL16239399 0.62 BCL2L1 (0.52) PARP1CES1BCL2L1BADGRIA1
SCHEMBL20112700 0.62 CES1 (0.52) PARP1CES1BCL2L1BADNOS3
SCHEMBL13002367 0.62 CES1 (0.46) PARP1CES1BCL2L1BADNOS3
SCHEMBL6557292 0.62 GPR84 (0.44) PARP1CES1BCL2L1BADGRIA1
SCHEMBL887378 0.62 CES1 (0.39) PARP1CES1BCL2L1BADNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 PARP1 2047/4885CES1 2520/4885BCL2L1 3679/4885

“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.