SCHEMBL21047996

SCHEMBL21047996

CCOc1nc(C)c([N+](=O)[O-])c(C(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.35
MAPT P10636 6/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 4/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL19539399 0.77 POLB (0.38) POLBMEN1KMT2APKMMAPT
SCHEMBL1179957 0.75 KDM4E (0.36) MEN1KMT2APKMMAPTTDP1
SCHEMBL2846447 0.75 TSHR (0.55) POLBMEN1KMT2APKMMAPT
SCHEMBL7012885 0.71 NPSR1 (0.41) POLBMEN1KMT2AMAPTTDP1
SCHEMBL19539400 0.71 PRMT1 (0.40) POLBMEN1KMT2AMAPTTDP1
SCHEMBL2533704 0.66 TPMT (0.40) POLBMEN1KMT2AMAPTTDP1
SCHEMBL21076665 0.66 MAPT (0.38) MEN1KMT2APKMMAPTTDP1
SCHEMBL1317366 0.65 MAOA (0.48) POLBMEN1KMT2APKMMAPT
SCHEMBL3668058 0.64 ALDH1A1 (0.45) POLBMEN1KMT2APKMMAPT
SCHEMBL17585433 0.64 MAPT (0.46) POLBMEN1KMT2AMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3450433-B1 PURINE DERIVATIVES AS TLR7 INHIBITORS FOR TREATING E.G. SYSTEMIC LUPUS ERYTHEMATOSUS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2021-08-18 EP disclosed
US-10703755-B2 Substituted purine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-07 US disclosed
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-06-06 US 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-10703755-B2 Substituted purine derivative TLR7, TLR9, TLR1 POLB 1496/4885MEN1 3087/4885KMT2A 982/4885
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE TLR7, TLR9, TLR1 POLB 1496/4885MEN1 3087/4885KMT2A 982/4885

“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.