SCHEMBL8738513

SCHEMBL8738513

C=CN(C)c1nc(Cc2ccc(NC(=O)c3cccc(Cl)c3)cc2)nc(Cl)c1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.51
TBXA2R P21731 1/20 0.51
PTGDR Q13258 1/20 0.51
KDM4E B2RXH2 2/20 0.46
CTNNB1 P35222 1/20 0.46
TCF7L2 Q9NQB0 1/20 0.46
NR1H4 Q96RI1 3/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TP53 P04637 3/20 0.43
FFAR1 O14842 1/20 0.43
GLA P06280 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
CCR2 P41597 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
KCNK3 O14649 1/20 0.40

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
SCHEMBL1652194 0.91 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRKDM4ECTNNB1
SCHEMBL8739624 0.89 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
SCHEMBL8738085 0.85 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRKDM4ECTNNB1
SCHEMBL1652371 0.83 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRKDM4ENR1H4
SCHEMBL8738514 0.82 NR1H4 (0.49) PTGDR2TBXA2RPTGDRNR1H4MEN1
SCHEMBL1652570 0.81 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRKDM4EMEN1
SCHEMBL1652104 0.80 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRKDM4ECTNNB1
SCHEMBL1653462 0.80 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRKDM4ECTNNB1
SCHEMBL1010317 0.80 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRNR1H4MEN1
SCHEMBL1652387 0.79 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRKDM4ECTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 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-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS HRH2, HRH1, HRH4 PTGDR2 11/4885TBXA2R 20/4885PTGDR 30/4885

“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.