SCHEMBL5120973

SCHEMBL5120973

O=C(O)Cn1c(Cl)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
CCR2 P41597 3/20 0.46
MAPT P10636 1/20 0.46
ALOX5 P09917 1/20 0.45
ALOX15 P16050 1/20 0.45
PTGS2 P35354 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CFTR P13569 1/20 0.43

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
SCHEMBL5110483 0.77 PTGDR2 (0.67) PTGDR2MAPTKMT2AMEN1RAB9A
SCHEMBL5115904 0.75 PTGDR2 (0.69) PTGDR2KMT2AMEN1
SCHEMBL13394321 0.75 CXCR3 (0.53) MAPTKMT2AMEN1GAA
SCHEMBL4978556 0.75 ALDH1A1 (0.55) MAPTKMT2AMEN1RAB9A
SCHEMBL4288066 0.74 KDM4E (0.65) PTGDR2KMT2AMEN1
SCHEMBL18180381 0.73 CYP1A2 (0.66) CCR2MAPT
SCHEMBL5114185 0.73 PTGDR2 (0.54) PTGDR2
SCHEMBL16208399 0.73 MAPT (0.41) MAPTALOX5ALOX15PTGS2KMT2A
SCHEMBL1252366 0.73 CCR2 (0.51) PTGDR2CCR2MAPTKMT2AMEN1
SCHEMBL5113197 0.73 PTGDR2 (0.70) PTGDR2KMT2AMEN1

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-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 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-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 PTGDR2 12/4885CCR2 9/4885MAPT 4293/4885

“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.