SCHEMBL5786161

SCHEMBL5786161

COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(-c3ccc4ccccc4n3)c1)=NC(C)(C)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 4/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
MAPT P10636 3/20 0.33
PDE4D Q08499 1/20 0.33
PDE4A P27815 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ALOX15 P16050 1/20 0.31
CYP1A1 P04798 1/20 0.31

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
SCHEMBL5787614 0.87 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL5784366 0.85 SMN1; SMN2 (0.35) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL5784017 0.85 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL5785757 0.85 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL5783013 0.84 KDM4E (0.40) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL5787987 0.84 PDGFRB (0.39) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL5784202 0.83 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL5782315 0.83 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL5788012 0.82 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL5787698 0.82 KDM4E (0.35) SMN1; SMN2KDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 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-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A SMN1; SMN2 4678/4885KDM4E 300/4885ALDH1A1 572/4885

“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.