SCHEMBL5108445

SCHEMBL5108445

CN1CCN(Cc2cc(-c3ccc4c(c3)CCO4)nn(CCCc3ccccc3Cl)c2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
NPBWR1 P48145 1/20 0.38
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CXCR3 P49682 1/20 0.36
CHEK1 O14757 1/20 0.36
SLC6A9 P48067 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
FABP4 P15090 3/20 0.35
CTSS P25774 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
FAAH O00519 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2A13 Q16696 1/20 0.34

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
Hydrochloric Acid SCHEMBL5098086 0.99 GSK3B (0.40) GSK3BNPBWR1TP53KDM4EALDH1A1
SCHEMBL5094794 0.92 GSK3B (0.42) GSK3BNPBWR1TP53ALOX15HSD17B10
SCHEMBL5098233 0.88 GSK3B (0.38) GSK3BKDM4EALDH1A1KMT2ACXCR3
SCHEMBL5094925 0.87 GSK3B (0.44) GSK3BNPBWR1CXCR3SLC6A9HTR2C
SCHEMBL5108392 0.87 GSK3B (0.44) GSK3BNPBWR1CXCR3SLC6A9HTR2C
SCHEMBL5108630 0.84 GSK3B (0.40) GSK3BNPBWR1CXCR3SLC6A9HTR2C
SCHEMBL5098172 0.84 GSK3B (0.41) GSK3BKDM4EALDH1A1KMT2AHTR2C
SCHEMBL5585272 0.82 TP53 (0.39) TP53KDM4EALDH1A1KMT2AALOX15
SCHEMBL5108038 0.82 FABP4 (0.47) GSK3BNPBWR1CXCR3SLC6A9FABP4
Hydrochloric Acid SCHEMBL5584647 0.81 TP53 (0.38) TP53KDM4EALDH1A1KMT2AALOX15

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 317/4885TP53 946/4885

“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.