SCHEMBL2573152

SCHEMBL2573152

O=C(O)NCc1ccc(-c2ccccc2)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.57
ERCC1 P07992 8/20 0.54
ERCC4 Q92889 8/20 0.54
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
ALOX5 P09917 1/20 0.47
HDAC7 Q8WUI4 2/20 0.47
AOC3 Q16853 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HDAC1 Q13547 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
SCHEMBL2587661 0.84 BACE1 (0.54) EGFRCYP1A2CYP2D6CYP2C9TSHR
SCHEMBL2573822 0.83 MMP12 (0.55) EGFRCYP1A2CYP2D6CYP2C9TSHR
SCHEMBL2452462 0.83 CYP1A2 (0.53) EGFRERCC1ERCC4CYP1A2CYP2D6
SCHEMBL2564315 0.80 HDAC1 (0.59) EGFRERCC1ERCC4HDAC1
SCHEMBL2568596 0.79 LMNA (0.48) EGFRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1730117 0.78 LMNA (0.68) EGFRCYP1A2CYP2D6CYP2C9TSHR
SCHEMBL31225239 0.77 GAA (0.63) TSHRALOX5ALDH1A1LMNA
SCHEMBL14832184 0.76 ALOX5 (0.59) EGFRTSHRALOX5ALDH1A1
SCHEMBL14081432 0.76 CHRNB2 (0.71) ERCC1ERCC4CHRNB2CHRNB4CHRNA3
SCHEMBL2567972 0.76 HTT (0.47) EGFRCYP1A2CYP2D6CYP2C9TSHR

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 EGFR 4864/4885ERCC1 2744/4885ERCC4 979/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP EGFR 4879/4885ERCC1 2990/4885ERCC4 1243/4885

“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.