SCHEMBL6839429

SCHEMBL6839429

COc1ccc(CNC2CCCCC2)c2cc(C(=O)NCc3ccccc3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6837945 1.00 MEN1 (0.47) MEN1KMT2AHTTSMN1; SMN2HSD17B10
SCHEMBL6837767 0.99 HTT (0.48) MEN1KMT2AHTTSMN1; SMN2HSD17B10
SCHEMBL6837873 0.97 HTT (0.48) MEN1KMT2AHTTSMN1; SMN2HSD17B10
SCHEMBL6837488 0.92 MEN1 (0.52) MEN1KMT2ASMN1; SMN2HSD17B10TSHR
SCHEMBL6837837 0.92 MEN1 (0.52) MEN1KMT2ASMN1; SMN2HSD17B10TSHR
SCHEMBL6839357 0.91 MEN1 (0.51) MEN1KMT2ASMN1; SMN2HSD17B10ADRA2A
SCHEMBL6836671 0.90 KMT2A (0.47) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6836429 0.89 NPC1 (0.49) MEN1KMT2ASMN1; SMN2HSD17B10TSHR
SCHEMBL6836480 0.89 PDE4A (0.49) MEN1KMT2AHTTMAPK1NPSR1
SCHEMBL6837518 0.89 PDE4A (0.49) MEN1KMT2AHTTMAPK1NPSR1

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 MEN1 4379/4885KMT2A 4289/4885HTT 2698/4885

“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.