SCHEMBL1009458

SCHEMBL1009458

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
NR2F2 P24468 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 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
SCHEMBL1923117 1.00 ACE (0.42) ACEPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL1010960 0.93 ACE (0.41) ACEPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL1010909 0.90 CYP2C19 (0.38) ACEPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL1922216 0.86 POLB (0.42) ACEPOLBKMT2ARAB9ALMNA
SCHEMBL1066125 0.86 POLB (0.42) ACEPOLBKMT2ARAB9ALMNA
SCHEMBL1922623 0.83 POLB (0.40) ACEPOLBCYP2C19KMT2ASMN1; SMN2
SCHEMBL1010635 0.83 POLB (0.40) ACEPOLBCYP2C19KMT2ASMN1; SMN2
SCHEMBL1010021 0.82 RAB9A (0.42) ACEPOLBKMT2ARAB9ALMNA
SCHEMBL12415771 0.80 POLB (0.46) POLBCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL2791459 0.78 PTGDR2 (0.45) POLBCYP1A2CYP2C9CYP2C19KMT2A

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-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS GB005, INC. 2011-07-14 US disclosed
US-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
EP-2328876-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actimis Pharmaceuticals, Inc., (US) 2011-06-08 EP disclosed
EP-1633726-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2011-01-05 EP 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 ACE 430/4885POLB 4441/4885CYP1A2 1836/4885

“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.