SCHEMBL5723161

SCHEMBL5723161

COc1ccc(C(Sc2ccncc2)c2ccccc2)c2c1OCC2C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 7/20 0.33
PDE4D Q08499 2/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP19A1 P11511 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
SCHEMBL5723129 0.80 PDE4A (0.48) PDE4APDE4DPDE4BPDE4C
SCHEMBL5722873 0.77 PDE4A (0.31) L3MBTL1PDE4A
SCHEMBL5723337 0.76 HIF1A (0.36) LMNAMAPTALDH1A1
SCHEMBL5722947 0.75 TDP1 (0.41) TDP1L3MBTL1PDE4APDE4DPDE4B
SCHEMBL5722916 0.73 PDE4B (0.38) PDE4APDE4DPDE4BPDE4C
SCHEMBL5722928 0.71 NPC1 (0.32) TDP1L3MBTL1LMNAALDH1A1
SCHEMBL6839302 0.67 CYP19A1 (0.45) LMNAMAPTALDH1A1SMN1; SMN2CYP19A1
SCHEMBL6839304 0.67 CYP19A1 (0.45) LMNAMAPTALDH1A1SMN1; SMN2CYP19A1
SCHEMBL5722983 0.66 MAPT (0.50) PDE4BLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL5722813 0.66 KDM4E (0.34) L3MBTL1PDE4APDE4BLMNAALDH1A1

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 TDP1 1138/4885L3MBTL1 1489/4885PDE4A 4879/4885

“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.