SCHEMBL5785307

SCHEMBL5785307

COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(-c3cccc(N)c3)c1)=NC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC2A1 P11166 1/20 0.33
MAPT P10636 3/20 0.32
PDE4D Q08499 1/20 0.32
NTSR1 P30989 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
FYN P06241 1/20 0.31
BACE1 P56817 1/20 0.30
KCNH2 Q12809 1/20 0.30
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL5787494 0.99 KDM4E (0.34) KDM4ETP53HPGDLMNASMN1; SMN2
SCHEMBL5783172 0.98 KDM4E (0.36) KDM4ETP53HPGDLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5785758 0.97 KDM4E (0.35) KDM4ETP53HPGDLMNASMN1; SMN2
SCHEMBL5785466 0.93 KDM4E (0.34) KDM4ETP53HPGDLMNASMN1; SMN2
SCHEMBL5787614 0.91 KDM4E (0.38) KDM4ETP53HPGDLMNASMN1; SMN2
SCHEMBL5787698 0.88 KDM4E (0.35) KDM4ETP53HPGDLMNASMN1; SMN2
SCHEMBL5785509 0.88 MAP4K4 (0.35) KDM4ETP53HPGDLMNASMN1; SMN2
SCHEMBL5784063 0.87 BACE1 (0.36) KDM4ETP53HPGDLMNASMN1; SMN2
SCHEMBL5783495 0.87 TP53 (0.32) TP53SMN1; SMN2BACE1
SCHEMBL5783700 0.87 CYP1A2 (0.36) KDM4ETP53HPGDLMNASMN1; SMN2

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 KDM4E 300/4885TP53 3833/4885HPGD 306/4885

“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.