SCHEMBL8737845

SCHEMBL8737845

[C-]#[N+]Cc1c(Cl)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1N(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.49
TBXA2R P21731 1/20 0.49
PTGDR Q13258 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
DEGS1 O15121 1/20 0.43
KDM4E B2RXH2 1/20 0.42
F10 P00742 1/20 0.40
DGAT1 O75907 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
SCHEMBL1010317 0.88 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL1010285 0.87 PTGDR2 (0.52) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL1009353 0.86 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL12568725 0.86 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL27635182 0.85 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL1010309 0.82 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL1650967 0.82 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL1009772 0.81 NR1H4 (0.48) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL1652346 0.80 NR1H4 (0.55) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL1652082 0.80 NR1H4 (0.55) PTGDR2TBXA2RPTGDRKMT2AMEN1

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.