SCHEMBL2574296

SCHEMBL2574296

CCCOc1cccc(-c2ccc(CN)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.54
TAAR1 Q96RJ0 3/20 0.53
MAOB P27338 2/20 0.53
KDM4E B2RXH2 1/20 0.52
FDFT1 P37268 1/20 0.51
FGFR2 P21802 1/20 0.47
FGFR3 P22607 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
CSNK2A1 P68400 2/20 0.46
KMT2A Q03164 1/20 0.46
ERN1 O75460 1/20 0.46
BACE1 P56817 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2568516 0.92 SMN1; SMN2 (0.53) SLC13A5TAAR1MAOBFDFT1FGFR2
SCHEMBL2570658 0.91 TSHR (0.56) SLC13A5TAAR1MAOBFDFT1FGFR2
SCHEMBL198917 0.86 KDM4E (0.59) SLC13A5KDM4EFDFT1RXRARXRB
SCHEMBL1337028 0.85 KDM4E (0.57) SLC13A5TAAR1MAOBKDM4EFDFT1
SCHEMBL15473215 0.84 KMT2A (0.57) SLC13A5KDM4ERXRARXRBKMT2A
SCHEMBL15257247 0.84 KEAP1 (0.58) TAAR1MAOBKDM4ECSNK2A1KMT2A
SCHEMBL2538910 0.83 DHFR (0.54) TAAR1MAOBKDM4ECSNK2A1KMT2A
Hydrochloric Acid SCHEMBL20497359 0.82 KEAP1 (0.65) TAAR1MAOBKDM4ECSNK2A1HRH3
SCHEMBL2570159 0.82 LSS (0.59) TAAR1MAOBKDM4EKMT2AHRH3
Hydrochloric Acid SCHEMBL2540065 0.81 CSNK2A1 (0.53) TAAR1MAOBKDM4ECSNK2A1KMT2A

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 SLC13A5 31/4885TAAR1 2821/4885MAOB 2260/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP SLC13A5 24/4885TAAR1 2908/4885MAOB 2664/4885

“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.