SCHEMBL2570360

SCHEMBL2570360

N#Cc1ccc(-c2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.62
CYP11B1 P15538 5/20 0.62
CYP11B2 P19099 5/20 0.62
MAOB P27338 2/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.51
SQOR Q9Y6N5 1/20 0.51
PTGER1 P34995 1/20 0.50
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
PDCD1 Q15116 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
GSTP1 P09211 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 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
SCHEMBL6061899 0.87 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2MAOBPTGDR2
SCHEMBL70797 0.81 MAOB (0.60) CYP19A1CYP11B1CYP11B2MAOBGABRG2
SCHEMBL2567774 0.81 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2MAOBPTGER1
SCHEMBL6477203 0.81 MAOB (0.55) CYP19A1CYP11B1CYP11B2MAOBPTGDR2
SCHEMBL9213631 0.81 CYP11B1 (0.61) CYP19A1CYP11B1CYP11B2MAOBPTGDR2
SCHEMBL2572668 0.81 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2MAOBPTGDR2
SCHEMBL6509372 0.80 CHEK2 (0.50) CYP19A1CYP11B1CYP11B2
SCHEMBL20302267 0.80 MAOB (0.58) CYP19A1CYP11B1CYP11B2MAOBPTGER1
SCHEMBL6431004 0.80 MAOB (0.58) CYP19A1CYP11B1CYP11B2MAOBPTGER1
SCHEMBL6072398 0.80 MAOB (0.58) CYP19A1CYP11B1CYP11B2MAOBPTGER1

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 CYP19A1 4432/4885CYP11B1 1018/4885CYP11B2 957/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP CYP19A1 4354/4885CYP11B1 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.