SCHEMBL7528754

SCHEMBL7528754

CCC1=N/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OCc2ccccc2)C=C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 3/20 0.31
STAT3 P40763 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 3/20 0.31
MAPK1 P28482 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30
DHODH Q02127 1/20 0.30
NTSR1 P30989 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
GAA P10253 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
SCHEMBL7523822 1.00 IDO1 (0.32) IDO1ADRA1DADRA1AADRA1BLMNA
SCHEMBL7522297 0.92 MEN1 (0.31) IDO1ADRA1DADRA1AADRA1BLMNA
SCHEMBL7522299 0.92 MEN1 (0.31) IDO1ADRA1DADRA1AADRA1BLMNA
SCHEMBL7526409 0.90 PTGER1 (0.31) IDO1ADRA1DADRA1AADRA1B
SCHEMBL7526413 0.90 PTGER1 (0.31) IDO1ADRA1DADRA1AADRA1B
SCHEMBL7525881 0.89 BCHE (0.32)
SCHEMBL7525880 0.89 BCHE (0.32)
SCHEMBL1388984 0.89 BCHE (0.33)
SCHEMBL1717405 0.89 BCHE (0.33)
SCHEMBL7514355 0.89 BCHE (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975592-B1 BENZYLOXY PRODIGIOSINE COMPOUNDS PHARMACIA & UPJOHN SPA (IT) 2002-06-05 EP claimed
US-20020049248-A1 Alone or in combination for treatment of adult-T-cell leukemia- lymphoma PHARMACIA & UPJOHN, SPA (IT) 2002-04-25 US claimed
US-6369096-B1 IMMUNOMODULATING AGENT, IMMUNOSUPPRESSANT PHARMACIA & UPJOHN S.P.A. (IT) 2002-04-09 US claimed
EP-0975592-B1 BENZYLOXY PRODIGIOSINE COMPOUNDS PHARMACIA & UPJOHN SPA (IT) 2002-06-05 EP disclosed
US-20020049248-A1 Alone or in combination for treatment of adult-T-cell leukemia- lymphoma PHARMACIA & UPJOHN, SPA (IT) 2002-04-25 US disclosed
US-6369096-B1 IMMUNOMODULATING AGENT, IMMUNOSUPPRESSANT PHARMACIA & UPJOHN S.P.A. (IT) 2002-04-09 US 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-20020049248-A1 Alone or in combination for treatment of adult-T-cell leukemia- lymphoma MALT1, BCL6, CD4 IDO1 240/4885ADRA1D 4132/4885ADRA1A 4178/4885

“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.