SCHEMBL6833261

SCHEMBL6833261

COc1ccc(CNCCCc2ccccc2)c2cc(C(=O)Nc3ccc(Cl)cc3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
DUSP3 P51452 1/20 0.42

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
SCHEMBL6836878 0.95 SMN1; SMN2 (0.47) CNR1NPC1RAB9AKMT2AMAPT
SCHEMBL6837974 0.94 NPC1 (0.45) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL6838101 0.92 SLC6A5 (0.46) NPC1RAB9AKMT2AMAPTHSD17B10
SCHEMBL6838087 0.90 NR1H4 (0.43) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL6836454 0.88 HTT (0.46) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL6837814 0.86 MEN1 (0.49) NPC1RAB9AKMT2AMAPTHSD17B10
SCHEMBL6833213 0.86 THRB (0.50) NPC1RAB9AKMT2AMAPTHSD17B10
SCHEMBL6837907 0.86 SLC6A5 (0.48) NPC1RAB9AKMT2AHSD17B10KDM4E
SCHEMBL6836625 0.85 NPC1 (0.50) NPC1RAB9AKMT2AMAPTHSD17B10
SCHEMBL6833183 0.85 HTT (0.49) KMT2AHSD17B10ALDH1A1MEN1HPGD

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 CNR1 249/4885NPC1 956/4885RAB9A 2778/4885

“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.