SCHEMBL2570101

SCHEMBL2570101

O=C1c2ccccc2C(=O)N1Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.68
▸ KMT2A Q03164 2/20 0.57
▸ CASP3 P42574 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP4F2 P78329 1/20 0.51
▸ CYP4A11 Q02928 1/20 0.51
▸ BCHE P06276 1/20 0.51
▸ FAAH O00519 1/20 0.51
▸ MGLL Q99685 1/20 0.51
▸ MAOB P27338 4/20 0.50

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
SCHEMBL31666963 0.85 CASP3 (0.61) GRM5CASP3NPSR1
SCHEMBL15923547 0.85 KMT2A (0.60) KMT2ACASP3KDM4EALDH1A1HPGD
SCHEMBL1680623 0.85 CASP3 (0.61) GRM5CASP3NPSR1
SCHEMBL2206329 0.83 GRM5 (0.61) GRM5KMT2ACASP3KDM4EALDH1A1
SCHEMBL2203990 0.83 RAB9A (0.67) GRM5KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL18669155 0.82 KMT2A (0.75) KMT2ACASP3KDM4EALDH1A1HPGD
SCHEMBL13698941 0.81 MRGPRX4 (0.51) GRM5KMT2ACASP3KDM4EALDH1A1
SCHEMBL2258501 0.81 KMT2A (0.70) KMT2ACASP3KDM4EHPGDSMN1; SMN2
SCHEMBL15923238 0.80 KMT2A (0.52) KMT2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15923064 0.80 KMT2A (0.52) KMT2AKDM4EALDH1A1HPGDSMN1; SMN2

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 GRM5 4098/4885KMT2A 2172/4885CASP3 1074/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP GRM5 4378/4885KMT2A 1816/4885CASP3 1194/4885

“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.

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