SCHEMBL1064895

SCHEMBL1064895

O=[N+]([O-])c1cc(-c2ccncc2)c2occc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
AHR P35869 1/20 0.50
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
DYRK1A Q13627 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL5987514 0.92 MAPT (0.44) MAPTAHRNPC1RAB9ACYP1A2
SCHEMBL1063278 0.85 CHRNB2 (0.51) MAPTNPC1RAB9ASMN1; SMN2CYP19A1
SCHEMBL1063685 0.84 CHRNB2 (0.39) MAPTAHRNPC1RAB9ACYP1A2
SCHEMBL1064035 0.80 MAPT (0.47) MAPTAHRNPC1RAB9ACYP1A2
SCHEMBL1064341 0.80 MAPT (0.39) MAPTAHRNPC1RAB9ASMN1; SMN2
SCHEMBL7358823 0.79 NPC1 (0.53) MAPTAHRNPC1RAB9ACYP1A2
SCHEMBL1059960 0.78 MAPT (0.40) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL1063710 0.77 SLC6A2 (0.41) MAPTAHRNPC1RAB9ACYP1A2
SCHEMBL4795025 0.77 CHEK1 (0.40) MAPTAHRNPC1RAB9ASMN1; SMN2
SCHEMBL1064317 0.77 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2MEN1

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-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 US disclosed
EP-1694663-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER Biovitrum Aktiebolag (SE) 2006-08-30 EP disclosed
WO-2005058858-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER BIOVITRUM AB (SE) 2005-06-30 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 (2 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-20060287291-A1 Compounds HTR6, HTR1B, HTR1A MAPT 1414/4885AHR 575/4885NPC1 582/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A MAPT 2205/4885AHR 240/4885NPC1 1419/4885

“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.