SCHEMBL5786290

SCHEMBL5786290

COc1cc(CO)cc2c1OC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.38
HTR2A P28223 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 2/20 0.36
EPAS1 Q99814 2/20 0.36
ALDH1A1 P00352 1/20 0.36
AKT1 P31749 1/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL5783836 0.83 KMT2A (0.42) KMT2ANPC1RAB9ALMNAHTR2A
SCHEMBL5785017 0.82 HTR2A (0.49) KMT2ALMNAHTR2AKDM4EALDH1A1
SCHEMBL5783751 0.81 HTR2A (0.40) KMT2ANPC1RAB9ALMNAHTR2A
SCHEMBL5787801 0.81 KDM4E (0.41) KMT2ANPC1RAB9ALMNAHTR2A
SCHEMBL5787351 0.81 KMT2A (0.40) KMT2AHTR2AHIF1AEPAS1
SCHEMBL5782999 0.79 KMT2A (0.41) KMT2ANPC1RAB9ALMNAALDH1A1
SCHEMBL2328393 0.76 KMT2A (0.39) KMT2ANPC1RAB9ALMNAHTR2A
SCHEMBL28496894 0.76 KMT2A (0.39) KMT2ANPC1RAB9ALMNAHTR2A
Bromide SCHEMBL5784209 0.76 NPC1 (0.39) KMT2ANPC1RAB9ALMNAKDM4E
SCHEMBL5786313 0.75 NPC1 (0.39) KMT2ANPC1RAB9ALMNAKDM4E

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 KMT2A 1140/4885NPC1 3538/4885RAB9A 742/4885

“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.