SCHEMBL13604403

SCHEMBL13604403

O=c1[nH]c(-c2ccccc2OP)nc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 9/20 0.69
▸ HPGD P15428 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ TNKS O95271 7/20 0.58
▸ TNKS2 Q9H2K2 7/20 0.58
▸ PARP1 P09874 4/20 0.58
▸ PARP2 Q9UGN5 2/20 0.55
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1B1 Q16678 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HIF1A Q16665 1/20 0.51

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
SCHEMBL1084872 0.85 GUSB (0.78) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL29740691 0.85 GUSB (0.78) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL4579539 0.84 GUSB (0.67) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL7160589 0.82 GUSB (1.00) GUSBHPGDKDM4E
SCHEMBL31238756 0.82 GUSB (1.00) GUSBHPGDKDM4E
SCHEMBL10205334 0.82 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL4579536 0.81 GUSB (0.63) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL297069 0.81 GUSB (0.67) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL14845878 0.81 GUSB (0.63) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL802560 0.80 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3/4885HPGD 334/4885KDM4E 1946/4885

“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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