SCHEMBL1059656

SCHEMBL1059656

O=C(Nc1cc2ccccc2o1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.66
RAB9A P51151 7/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
MAOB P27338 4/20 0.66
PKM P14618 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
TP53 P04637 4/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
HDAC2 Q92769 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 4/20 0.52
ACHE P22303 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALPG P10696 1/20 0.52
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 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
SCHEMBL10823736 0.84 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAOBPKM
SCHEMBL3800547 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAOBPKM
SCHEMBL7777693 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAOBPKM
Hydrochloric Acid SCHEMBL3794175 0.80 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAOBPKM
SCHEMBL1826293 0.79 FLT3 (0.55) NPC1RAB9ASMN1; SMN2MAOBPKM
SCHEMBL13652067 0.79 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2MAOBPKM
SCHEMBL1066448 0.79 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAOBPKM
SCHEMBL6665885 0.78 MEN1 (0.75) NPC1RAB9ASMN1; SMN2PKMMEN1
SCHEMBL5613922 0.77 HPGD (0.53) NPC1RAB9ASMN1; SMN2MAOBPKM
SCHEMBL3871617 0.77 TAS1R3 (0.49) NPC1RAB9ASMN1; SMN2MAOBPKM

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 NPC1 582/4885RAB9A 2184/4885SMN1; SMN2 2289/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A NPC1 1419/4885RAB9A 4255/4885SMN1; SMN2 2398/4885

“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.