SCHEMBL2570879

SCHEMBL2570879

O=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
GRM5 P41594 2/20 0.44
GSTP1 P09211 2/20 0.44
PTGER4 P35408 4/20 0.43
PTGER3 P43115 4/20 0.43
PTGER1 P34995 4/20 0.43
PTGER2 P43116 3/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
PTPN1 P18031 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL2567485 0.83 RXFP1 (0.55) CASP3KMT2AKDM4EALDH1A1HPGD
SCHEMBL27604583 0.79 KMT2A (0.44) KMT2AKDM4EALDH1A1HPGDRECQL
SCHEMBL2570214 0.75 CHRM5 (0.56) CASP3
SCHEMBL2567818 0.75 CFD (0.49) GSTP1PTPN1MCL1
SCHEMBL2566840 0.75 MAPT (0.43) CASP3KMT2AALDH1A1HPGDRECQL
SCHEMBL6555869 0.74 MAOB (0.46) CASP3GRM5PTGER1KMT2AALDH1A1
SCHEMBL17276481 0.73 BACE1 (0.44) KMT2AKDM4EALDH1A1PTPN1
SCHEMBL14124890 0.73 KMT2A (0.48) CASP3GRM5KMT2AKDM4EALDH1A1
SCHEMBL25817645 0.72 MAPT (0.46) CASP3KMT2AKDM4EALDH1A1HPGD
SCHEMBL1691386 0.72 CASP3 (0.68) CASP3KMT2AALDH1A1HPGD

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 1074/4885GRM5 4098/4885GSTP1 2543/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP CASP3 1194/4885GRM5 4378/4885GSTP1 2322/4885

“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.