SCHEMBL5785757

SCHEMBL5785757

COc1cc2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(C)C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC2A1 P11166 1/20 0.37
MAPT P10636 4/20 0.36
NTSR1 P30989 1/20 0.36
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 5/20 0.35
GLA P06280 1/20 0.35
MAPK10 P53779 1/20 0.35
FFAR4 Q5NUL3 4/20 0.34
HTT P42858 1/20 0.33
MITF O75030 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
PDGFRB P09619 1/20 0.32

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 SCHEMBL5783013 0.99 KDM4E (0.40) KDM4ETP53LMNAHPGDSMN1; SMN2
SCHEMBL5782315 0.98 KDM4E (0.39) KDM4ETP53LMNAHPGDSMN1; SMN2
SCHEMBL5787614 0.94 KDM4E (0.38) KDM4ETP53LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5786486 0.91 KDM4E (0.37) KDM4ETP53LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5785854 0.90 KDM4E (0.36) KDM4ETP53LMNAHPGDSMN1; SMN2
SCHEMBL5784435 0.90 SLC2A1 (0.36) KDM4ETP53LMNAHPGDSMN1; SMN2
SCHEMBL5783871 0.90 SLC2A1 (0.36) KDM4ETP53LMNAHPGDSMN1; SMN2
SCHEMBL5785304 0.90 KDM4E (0.40) KDM4ETP53LMNAHPGDSMN1; SMN2
SCHEMBL5784813 0.89 KDM4E (0.36) KDM4ETP53LMNAHPGDSMN1; SMN2
SCHEMBL5783700 0.89 CYP1A2 (0.36) KDM4ETP53LMNAHPGDSMN1; 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 3833/4885LMNA 4533/4885

“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.