SCHEMBL12415772

SCHEMBL12415772

COC(=O)c1c(Cl)nc(Cc2ccc([N+](=O)[O-])cc2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
AR P10275 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 3/20 0.43
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL12415778 0.88 PLA2G2A (0.37) MAPTARHTTGAAALDH1A1
SCHEMBL12415766 0.86 MAPT (0.45) MAPTARMEN1KMT2AHTT
SCHEMBL12415771 0.84 POLB (0.46) MAPTARMEN1KMT2AHTT
SCHEMBL691743 0.82 KMT2A (0.41) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL12415769 0.82 MAPT (0.43) MAPTARMEN1KMT2AHTT
SCHEMBL10206823 0.81 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL2791412 0.80 CYP2C19 (0.43) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL12953758 0.79 POLB (0.40) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL12569062 0.79 NPSR1 (0.41) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL13051455 0.78 L3MBTL1 (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2

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-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 2120/4885AR 401/4885MEN1 2631/4885

“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.