SCHEMBL3536906

SCHEMBL3536906

O=C(c1cnc[nH]1)c1c2ccccc2nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PDE10A Q9Y233 4/20 0.41
GAA P10253 1/20 0.40
CPA1 P15085 1/20 0.39
DHODH Q02127 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL27550242 0.77 PDE10A (0.55) TP53RAB9ASMN1; SMN2PDE10AGAA
SCHEMBL6665883 0.76 RAB9A (0.57) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL11173812 0.74 CNR2 (0.55) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL8776502 0.74 HTT (0.61) SMN1; SMN2PDE10AGAADHODHHSD17B10
SCHEMBL11033825 0.73 GAA (0.51) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL641899 0.69 PDE10A (0.66) SMN1; SMN2PDE10ADHODHHSD17B10LMNA
SCHEMBL29377848 0.69 PDE10A (0.66) SMN1; SMN2PDE10ADHODHHSD17B10LMNA
SCHEMBL3536797 0.69 KMT2A (0.51) NPC1RAB9ASMN1; SMN2PDE10ADHODH
Iodide SCHEMBL8029601 0.68 PDE10A (0.63) SMN1; SMN2PDE10ADHODHHSD17B10LMNA
Iodide SCHEMBL8029606 0.68 PDE10A (0.63) SMN1; SMN2PDE10ADHODHHSD17B10LMNA

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
US-7718576-B2 Peroxide-based chemiluminescent assays and chemiluminescent compounds used therein WALDROP III ALEXANDER A 2010-05-18 US disclosed
EP-1019379-B1 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN MAINE MEDICAL CT (US) 2005-10-19 EP disclosed
US-20030219844-A1 Peroxide-based chemiluminescent assays and chemiluminescent compounds used therein MAINE MEDICAL CENTER 2003-11-27 US disclosed
EP-1019379-A4 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN MAINE MEDICAL CT (US) 2001-07-04 EP disclosed
EP-1019379-A1 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN Maine Medical Center (US) 2000-07-19 EP disclosed
WO-1999009012-A1 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN MAINE MEDICAL CENTER (US) 1999-02-25 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-20030219844-A1 Peroxide-based chemiluminescent assays and chemiluminescent compounds used therein CBR1, CBR3, NR2E3 TP53 3844/4885NPC1 2485/4885RAB9A 4784/4885

“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.