SCHEMBL5784100

SCHEMBL5784100

COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(NC(=O)CS(C)(=O)=O)c1)=NC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 3/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
HTR1E P28566 1/20 0.33
NTSR1 P30989 1/20 0.33

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
SCHEMBL5786230 0.90 LMNA (0.38) LMNAPOLBNPC1RAB9ATSHR
SCHEMBL6072102 0.89 LMNA (0.38) LMNAPOLBNPC1RAB9ATSHR
SCHEMBL6072373 0.89 LMNA (0.38) LMNAPOLBNPC1RAB9ATSHR
SCHEMBL6071835 0.88 MEN1 (0.41) LMNAPOLBNPC1RAB9ATSHR
SCHEMBL5787677 0.88 LMNA (0.37) LMNAPOLBNPC1RAB9ATSHR
SCHEMBL5784678 0.88 LMNA (0.37) LMNAPOLBNPC1RAB9ATSHR
SCHEMBL5784127 0.88 POLB (0.40) POLBNPC1RAB9ATSHRKMT2A
SCHEMBL6072198 0.87 LMNA (0.37) LMNAPOLBNPC1RAB9ATSHR
SCHEMBL5785105 0.87 LMNA (0.35) LMNATSHRHSD17B10KMT2AALDH1A1
SCHEMBL5784402 0.87 IDO1 (0.37) LMNAPOLBKMT2AALDH1A1MAPT

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 LMNA 4533/4885POLB 1153/4885NPC1 3538/4885

“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.