SCHEMBL5098172

SCHEMBL5098172

CN1CCN(Cc2cc(-c3ccc4c(c3)CCO4)nn(Cc3ccc(Cl)cc3)c2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 2/20 0.39
P2RX3 P56373 3/20 0.39
TNIK Q9UKE5 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CHKA P35790 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 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
SCHEMBL5098233 0.92 GSK3B (0.38) GSK3BMCHR1ALDH1A1P2RX3TNIK
SCHEMBL5095099 0.92 CNR2 (0.43) TNIKCNR2MEN1KMT2AHDAC3
Hydrochloric Acid SCHEMBL5102076 0.91 CNR2 (0.43) TNIKCNR2MEN1KMT2AHDAC3
SCHEMBL5094794 0.88 GSK3B (0.42) GSK3BHTR2CHTR2BCHKASMN1; SMN2
SCHEMBL5101764 0.87 GPR183 (0.38) GSK3BMCHR1ALDH1A1KDM4EMEN1
SCHEMBL5101761 0.87 GPR183 (0.38) GSK3BMCHR1ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL5102044 0.87 KCNH2 (0.38) GSK3BMCHR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5102040 0.87 KCNH2 (0.38) GSK3BMCHR1ALDH1A1SMN1; SMN2
SCHEMBL5094916 0.86 GSK3B (0.44) GSK3BALDH1A1P2RX3HTR2CHTR2B
SCHEMBL5102133 0.84 CYP11B2 (0.37) MCHR1SMN1; SMN2MAPT

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 3567/4885MCHR1 3485/4885ALDH1A1 171/4885

“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.