SCHEMBL12415767

SCHEMBL12415767

COC(=O)Cc1c(N(C)C)nc(Cc2ccc([N+](=O)[O-])cc2)n2ccnc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 4/20 0.35
POLB P06746 4/20 0.35
PTGS2 P35354 1/20 0.35
LMNA P02545 1/20 0.35
NOS1 P29475 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CCR3 P51677 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
SCHEMBL1923032 0.88 PTGDR2 (0.39) PTGDR2MAPTPOLBPTGS2LMNA
SCHEMBL12415747 0.86 TLR7 (0.34) ENPP1KMT2A
SCHEMBL13236238 0.81 MAPT (0.39) PTGDR2MAPTPOLBPTGS2LMNA
SCHEMBL12569022 0.80 TBXA2R (0.44) ENPP1PTGDR2MAPTPOLBPTGS2
SCHEMBL12568714 0.75 TBXA2R (0.39) ENPP1PTGDR2MAPTPOLBLMNA
SCHEMBL2944286 0.75 PTGDR2 (0.48) PTGDR2MAPTPOLBNOS1ALDH1A1
SCHEMBL13236205 0.73 NPSR1 (0.37) L3MBTL1ALDH1A1KMT2AGAARAB9A
SCHEMBL5959155 0.72 POLB (0.39) PTGDR2MAPTPOLBLMNANOS1
SCHEMBL13264578 0.72 ALK (0.30) L3MBTL1GAA
SCHEMBL12568712 0.72 POLB (0.41) MAPTPOLBPTGS2LMNAALDH1A1

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 2 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-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 ENPP1 156/4885PTGDR2 87/4885MAPT 2120/4885

“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.