SCHEMBL4409526

SCHEMBL4409526

COc1cc(C(=O)C=NO)ccc1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 3/20 0.50
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50
POLB P06746 1/20 0.50
PTGS1 P23219 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
NR3C1 P04150 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL4448762 0.89 ABCG2 (0.59) TSHRALDH1A1GAASMN1; SMN2NPC1
SCHEMBL5462974 0.83 TSHR (0.69) TSHRRAB9AALDH1A1KDM4EGAA
SCHEMBL14903561 0.82 TSHR (0.67) TSHRRAB9AALDH1A1KDM4EGAA
SCHEMBL5478341 0.81 MAPT (0.48) TSHRRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL2997461 0.79 TSHR (0.77) TSHRRAB9AALDH1A1KDM4EGAA
SCHEMBL4409525 0.78 TSHR (0.61) TSHRRAB9AALDH1A1KDM4EGAA
SCHEMBL111732 0.78 TSHR (1.00) TSHRRAB9AALDH1A1KDM4EGAA
SCHEMBL23467802 0.76 TSHR (0.73) TSHRRAB9AALDH1A1KDM4EGAA
SCHEMBL30743049 0.76 TSHR (0.73) TSHRRAB9AALDH1A1KDM4EGAA
SCHEMBL17184498 0.76 TSHR (0.73) TSHRRAB9AALDH1A1KDM4EGAA

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
US-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 WO disclosed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 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-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HAVCR2, TYMP, HCCS TSHR 3550/4885RAB9A 2464/4885ALDH1A1 3028/4885
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF TSHR 4732/4885RAB9A 1816/4885ALDH1A1 1733/4885

“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.