SCHEMBL2573344

SCHEMBL2573344

NCc1ccc(-c2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.54
CYP11B1 P15538 4/20 0.53
CYP11B2 P19099 4/20 0.53
CYP19A1 P11511 3/20 0.53
MAOB P27338 1/20 0.51
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
CFD P00746 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
F11 P03951 1/20 0.49
KLKB1 P03952 1/20 0.49
F7 P08709 1/20 0.49
TPSB2 P20231 1/20 0.49
GSTP1 P09211 2/20 0.45
IKBKB O14920 1/20 0.45
PIN1 Q13526 1/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL2570251 0.86 CSNK2A1 (0.47) CSNK2A1CYP11B1CYP11B2CYP19A1MAOB
SCHEMBL2006949 0.85 MAOB (0.56) CYP11B1CYP11B2CYP19A1MAOBC5AR1
SCHEMBL30821651 0.83 MAOB (0.58) MAOBCFDPLGPLAUF11
SCHEMBL6726244 0.83 MAOB (0.58) MAOBCFDPLGPLAUF11
SCHEMBL2564573 0.82 RXRA (0.59) MAOBRXRARXRBRXRGCFD
SCHEMBL3791209 0.82 CYP19A1 (0.74) CYP11B1CYP11B2CYP19A1MAOBRXRA
SCHEMBL2568552 0.80 CFD (0.47) CYP11B1CYP11B2CYP19A1MAOBCFD
SCHEMBL8769263 0.80 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1RXRARXRB
SCHEMBL31053897 0.80 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1RXRARXRB
SCHEMBL2570486 0.80 CSNK2A1 (0.57) CSNK2A1HTR2CTAAR1

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 CSNK2A1 3651/4885CYP11B1 1018/4885CYP11B2 957/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP CSNK2A1 3567/4885CYP11B1 864/4885CYP11B2 754/4885

“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.