SCHEMBL5102003

SCHEMBL5102003

NCc1cc(-c2ccc3c(c2)CCO3)nn(Cc2ccccc2Cl)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
NPBWR1 P48145 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MAPT P10636 2/20 0.41
SLC16A3 O15427 2/20 0.40
SLC16A1 P53985 2/20 0.40
RAB9A P51151 3/20 0.39
DYRK1A Q13627 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FABP4 P15090 6/20 0.39
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
FABP3 P05413 1/20 0.38
FABP5 Q01469 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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
SCHEMBL5101622 0.90 NPBWR1 (0.46) GSK3BNPBWR1HTR2CHTR2BMAPT
SCHEMBL5094925 0.90 GSK3B (0.44) GSK3BNPBWR1HTR2CHTR2BMAPT
SCHEMBL5094794 0.86 GSK3B (0.42) GSK3BNPBWR1HTR2CHTR2BMAPT
SCHEMBL5101601 0.85 FABP4 (0.48) GSK3BNPBWR1HTR2CHTR2BMAPT
SCHEMBL5108059 0.85 NPBWR1 (0.44) GSK3BNPBWR1HTR2CHTR2BMAPT
SCHEMBL5108392 0.80 GSK3B (0.44) GSK3BNPBWR1HTR2CHTR2BMAPT
SCHEMBL5098222 0.80 DYRK1A (0.41) MAPTRAB9ADYRK1ASMN1; SMN2NPC1
SCHEMBL5108445 0.79 GSK3B (0.41) GSK3BNPBWR1HTR2CHTR2BSLC16A3
SCHEMBL27643403 0.79 TP53 (0.44) HTR2CHTR2BMAPTSLC16A3SLC16A1
SCHEMBL5095022 0.79 GSK3B (0.41) GSK3BHTR2CHTR2BMAPTRAB9A

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-7314877-B2 Benzofuran derivative KOWA CO., LTD. (JP) 2008-01-01 US claimed
US-20060189621-A1 Benzofuran derivative KOWA CO., LTD. (JP) 2006-08-24 US claimed
EP-1602655-A1 BENZOFURAN DERIVATIVE Kowa Co., Ltd. (JP) 2005-12-07 EP claimed
US-7314877-B2 Benzofuran derivative KOWA CO., LTD. (JP) 2008-01-01 US disclosed
US-20060189621-A1 Benzofuran derivative KOWA CO., LTD. (JP) 2006-08-24 US disclosed
EP-1602655-A1 BENZOFURAN DERIVATIVE Kowa Co., Ltd. (JP) 2005-12-07 EP 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-20060189621-A1 Benzofuran derivative TNF, TNFRSF1A, RELA GSK3B 3567/4885NPBWR1 317/4885HTR2C 1292/4885

“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.