SCHEMBL2574407

SCHEMBL2574407

O=C(O)NCc1ccc(-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.60
▸ SMPD1 P17405 1/20 0.60
▸ HDAC4 P56524 1/20 0.58
▸ ADAMTS5 Q9UNA0 3/20 0.57
▸ NR4A2 P43354 2/20 0.56
▸ SPHK2 Q9NRA0 2/20 0.56
▸ SPHK1 Q9NYA1 2/20 0.56
▸ PTGER4 P35408 1/20 0.54
▸ BCHE P06276 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.53
▸ F10 P00742 1/20 0.53
▸ EPHX1 P07099 1/20 0.52

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
SCHEMBL2574298 0.88 MRGPRX4 (0.50) MRGPRX4SMPD1HDAC4ADAMTS5NR4A2
SCHEMBL2570260 0.88 ADAMTS5 (0.47) MRGPRX4SMPD1HDAC4ADAMTS5SPHK2
SCHEMBL2572509 0.87 LTA4H (0.60) MRGPRX4SMPD1HDAC4NR4A2SPHK2
SCHEMBL25247564 0.86 BCHE (0.67) SMPD1NR4A2SPHK2SPHK1BCHE
SCHEMBL2571056 0.85 L3MBTL1 (0.57) LMNAEPHX1
SCHEMBL2566299 0.85 HDAC1 (0.58) MRGPRX4SMPD1HDAC4ADAMTS5NR4A2
SCHEMBL2570580 0.84 L3MBTL1 (0.54) LMNA
SCHEMBL2574474 0.83 SLC13A5 (0.57) ADAMTS5PTGER4LMNANR1H4EPHX1
SCHEMBL2573942 0.83 ADAMTS5 (0.49) ADAMTS5PTGER4EPHX1
SCHEMBL26633561 0.83 BCHE (0.67) ADAMTS5NR4A2BCHELMNA

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 MRGPRX4 1757/4885SMPD1 1846/4885HDAC4 3602/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP MRGPRX4 1683/4885SMPD1 2022/4885HDAC4 3712/4885

“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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