SCHEMBL5722928

SCHEMBL5722928

COc1ccc(CSc2ccncc2)c2c1OCC2C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B3 P37058 1/20 0.31
QRFPR Q96P65 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5722813 0.83 KDM4E (0.34) LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL5722880 0.79 ERBB2 (0.38) TDP1L3MBTL1KDM4EALDH1A1TSHR
SCHEMBL5723053 0.75 PDE4D (0.36)
SCHEMBL5722982 0.75 PDE4A (0.35) LMNAKDM4EALDH1A1
SCHEMBL5722864 0.71 FFAR4 (0.35) NPC1LMNARAB9ATDP1L3MBTL1
SCHEMBL5723161 0.71 TDP1 (0.41) LMNATDP1L3MBTL1ALDH1A1
SCHEMBL5722972 0.71 MAPT (0.50) NPC1LMNARAB9AKDM4EALDH1A1
SCHEMBL5722983 0.71 MAPT (0.50) NPC1LMNARAB9AKDM4EALDH1A1
SCHEMBL5722916 0.71 PDE4B (0.38)
SCHEMBL5722873 0.70 PDE4A (0.31) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
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
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 NPC1 956/4885LMNA 1848/4885RAB9A 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.