SCHEMBL2567487

SCHEMBL2567487

CN(C)C(=O)c1cc(OCc2ccccc2)cc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.50
▸ ATR Q13535 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NTSR1 P30989 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.42
▸ BCL2 P10415 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ PSMB8 P28062 1/20 0.42
▸ PSMB9 P28065 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ SMPD1 P17405 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL2569485 0.88 LMNA (0.48) HDAC1MEN1KMT2AADAMTS5ALDH1A1
SCHEMBL2566299 0.83 HDAC1 (0.58) HDAC1MEN1KMT2AADAMTS5BCL2
SCHEMBL2569035 0.80 HDAC1 (0.57) HDAC1ATRL3MBTL1
SCHEMBL596575 0.80 HDAC1 (0.67) HDAC1MEN1KMT2ANTSR1ADAMTS5
Hydrochloric Acid SCHEMBL2573542 0.79 MAOB (0.50) MEN1KMT2ASMPD1BRD4EGFR
SCHEMBL17136480 0.79 HDAC1 (0.65) HDAC1MEN1KMT2ANTSR1ALDH1A1
SCHEMBL2572410 0.79 BRD4 (0.46) HDAC1MEN1KMT2ANTSR1POLB
SCHEMBL9726455 0.76 EPHX2 (0.62) HDAC1ATRALDH1A1MAPTTDP1
SCHEMBL1691047 0.76 HDAC1 (0.67) HDAC1MEN1KMT2AALDH1A1LMNA
SCHEMBL2570746 0.75 KMT2A (0.59) MEN1KMT2ACYP1A2SMPD1BRD4

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 HDAC1 2556/4885ATR 4514/4885MEN1 3310/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HDAC1 2720/4885ATR 4334/4885MEN1 3540/4885

“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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