SCHEMBL13599387

SCHEMBL13599387

COc1cccc(OC)c1-c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 7/20 0.70
▸ TNKS O95271 5/20 0.62
▸ TNKS2 Q9H2K2 5/20 0.62
▸ PARP1 P09874 3/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ CASP3 P42574 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ SENP7 Q9BQF6 1/20 0.62
▸ SENP6 Q9GZR1 1/20 0.62
▸ CYP1A1 P04798 2/20 0.61
▸ CYP1B1 Q16678 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ PARP2 Q9UGN5 2/20 0.60
▸ ABL1 P00519 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ LYN P07948 1/20 0.56
▸ SRC P12931 1/20 0.56
▸ CSK P41240 1/20 0.56
▸ BTK Q06187 1/20 0.56
▸ PTK6 Q13882 1/20 0.56

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
SCHEMBL1623659 0.91 GUSB (0.75) GUSBTNKSTNKS2PARP1NPC1
SCHEMBL1084872 0.85 GUSB (0.78) GUSBTNKSTNKS2PARP1NPC1
SCHEMBL29740691 0.85 GUSB (0.78) GUSBTNKSTNKS2PARP1NPC1
SCHEMBL16007938 0.82 GUSB (1.00) GUSBTNKSTNKS2PARP1NPC1
SCHEMBL11379676 0.80 GUSB (0.51) GUSBTNKSTNKS2CYP1A1CYP1B1
SCHEMBL16017996 0.79 GUSB (0.76) GUSBTNKSTNKS2PARP1NPC1
SCHEMBL16007517 0.79 GUSB (1.00) GUSBTNKSTNKS2PARP1NPC1
SCHEMBL31238611 0.79 GUSB (1.00) GUSBTNKSTNKS2PARP1NPC1
SCHEMBL6695759 0.79 TNKS2 (0.81) GUSBTNKSTNKS2PARP1NPC1
SCHEMBL4494793 0.79 GUSB (0.58) GUSBTNKSTNKS2PARP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9320815-B2 Compounds and methods for enzyme-mediated tumor imaging and therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-04-26 — — US disclosed
US-8394953-B2 Compounds and methods for enzyme-mediated tumor imaging and therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-12 — — US disclosed
US-20090324495-A1 COMPOUNDS AND METHODS FOR ENZYME-MEDIATED TUMOR IMAGING AND THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-31 — — 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-20090324495-A1 COMPOUNDS AND METHODS FOR ENZYME-MEDIATED TUMOR IMAGING AND THERAPY GAA, RNASE1, GUSB GUSB 3/4885TNKS 707/4885TNKS2 808/4885

“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.

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