SCHEMBL12415769

SCHEMBL12415769

COC(=O)c1c(N(C)C)nc(Cc2ccc([N+](=O)[O-])cc2)nc1N(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.41
AR P10275 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 1/20 0.39
ENPP1 P22413 1/20 0.39
SLC6A3 Q01959 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL12415777 0.89 TBXA2R (0.37) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL12415766 0.84 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL12569022 0.83 TBXA2R (0.44) MAPTSMN1; SMN2POLBALDH1A1CYP2C19
SCHEMBL12415772 0.82 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL12415774 0.82 ALDH1A1 (0.41) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL6016810 0.81 GAA (0.41) SMN1; SMN2GAAPOLBALDH1A1CYP2C19
SCHEMBL3443645 0.79 PTGDR2 (0.53) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2789735 0.79 PTGDR2 (0.53) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL12568714 0.79 TBXA2R (0.39) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL1010635 0.77 POLB (0.40) MEN1KMT2ASMN1; SMN2POLBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541419-B2 Isotopically enriched pyrimidin-5-yl acetic acid derivatives as CRTH2 antagonists ACTIMIS PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-8541419-B2 Isotopically enriched pyrimidin-5-yl acetic acid derivatives as CRTH2 antagonists ACTIMIS PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS GB005, INC. 2011-07-14 US disclosed
US-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS GB005, INC. 2011-07-14 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 (1 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-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH4 MAPT 2120/4885MEN1 2631/4885KMT2A 965/4885

“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.