SCHEMBL1064341

SCHEMBL1064341

O=[N+]([O-])c1cc(-c2cnccn2)c2occc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CASP6 P55212 2/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
BCR P11274 1/20 0.38
SRC P12931 1/20 0.38
PRKCA P17252 1/20 0.38

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
SCHEMBL1064317 0.84 MAPT (0.50) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL1063278 0.82 CHRNB2 (0.51) MAPTRAB9ANPC1KDM4ECASP6
SCHEMBL1064035 0.80 MAPT (0.47) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL1064895 0.80 MAPT (0.50) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL1063685 0.78 CHRNB2 (0.39) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL1064254 0.78 ADORA2A (0.38) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL1059960 0.74 MAPT (0.40) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL4795025 0.74 CHEK1 (0.40) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL5987514 0.73 MAPT (0.44) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL1059842 0.72 KMT2A (0.47) MAPTALDH1A1KMT2AMEN1RAB9A

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 1414/4885ALDH1A1 545/4885KMT2A 3728/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A MAPT 2205/4885ALDH1A1 353/4885KMT2A 3354/4885

“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.