SCHEMBL2570317

SCHEMBL2570317

O=C1c2ccccc2C(=O)N1Cc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.64
▸ CES1 P23141 2/20 0.62
▸ ACHE P22303 1/20 0.62
▸ ADRA1D P25100 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ ADRA1B P35368 1/20 0.60
▸ CA12 O43570 1/20 0.60
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ KMT2A Q03164 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ ALDH2 P05091 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ ALDH3A1 P30838 1/20 0.56

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
SCHEMBL30472950 0.92 CASP3 (0.85) CASP3NPSR1CES1ADRA1DADRA1A
SCHEMBL326305 0.92 CASP3 (0.85) CASP3NPSR1CES1ADRA1DADRA1A
SCHEMBL13442853 0.85 CASP3 (1.00) CASP3NPSR1CES1ACHEADRA1D
SCHEMBL27840845 0.85 CASP3 (0.79) CASP3NPSR1CES1ADRA1DADRA1A
SCHEMBL1691386 0.85 CASP3 (0.68) CASP3NPSR1CES1ADRA1DADRA1A
SCHEMBL11167209 0.84 CASP3 (0.67) CASP3NPSR1CES1ACHEADRA1D
SCHEMBL9053599 0.82 CASP3 (0.65) CASP3NPSR1ADRA1DADRA1AADRA1B
SCHEMBL29820192 0.82 CASP3 (0.65) CASP3NPSR1ADRA1DADRA1AADRA1B
SCHEMBL18668950 0.82 CES2 (0.67) CASP3CES1ADRA1DADRA1AADRA1B
SCHEMBL8737445 0.82 CASP3 (0.65) CASP3NPSR1ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 — — EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 — — US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 — — US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 — — 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 (2 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 CASP3 1074/4885NPSR1 1014/4885CES1 771/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP CASP3 1194/4885NPSR1 1115/4885CES1 799/4885

“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.

Send feedback