SCHEMBL6833183

SCHEMBL6833183

COc1ccc(CNCCCc2ccccc2)c2cc(C(=O)NCc3ccccc3)oc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 4/20 0.46
SLC2A1 P11166 1/20 0.46
BCHE P06276 1/20 0.45
LMNA P02545 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL6837907 0.95 SLC6A5 (0.48) HTTSMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6836625 0.94 NPC1 (0.50) SMN1; SMN2MEN1KMT2AHSD17B10HPGD
SCHEMBL6837763 0.92 HTT (0.49) HTTSMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6833204 0.92 SLC6A5 (0.52) HTTMEN1KMT2AADRA2AADRA2B
SCHEMBL6836660 0.90 HTT (0.50) HTTSMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6837691 0.90 HTT (0.53) HTTSMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6837974 0.89 NPC1 (0.45) HTTKMT2AMAPK1NPSR1HPGD
SCHEMBL6837885 0.89 NPC1 (0.53) HTTSMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6836449 0.89 NPC1 (0.48) SMN1; SMN2MEN1KMT2AHSD17B10HPGD
SCHEMBL6837902 0.88 NPC1 (0.52) SMN1; SMN2MEN1KMT2AHSD17B10TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 HTT 2698/4885SMN1; SMN2 1477/4885MEN1 4379/4885

“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.