SCHEMBL1781235

SCHEMBL1781235

O=Cc1cc(Br)ccc1C(F)(F)Br

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.52
CYP2A6 P11509 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
PIM3 Q86V86 2/20 0.34
PIM1 P11309 1/20 0.33
KIF11 P52732 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDM1A O60341 1/20 0.32
NT5E P21589 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL28949295 0.88 ERN1 (0.52) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL30217843 0.88 ERN1 (0.52) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL207592 0.76 ERN1 (0.47) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL408055 0.76 PTGDR2 (0.51) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL29377196 0.76 PTGDR2 (0.51) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL3040456 0.73 ERN1 (0.64) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL30037767 0.72 ERN1 (0.57) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL29525291 0.72 ERN1 (0.57) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL18699 0.72 ERN1 (0.57) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL414267 0.72 ERN1 (0.61) ERN1CYP2A6PTGDR2PTPN1ALDH1A1

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
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 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 (2 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 ERN1 474/4885CYP2A6 3384/4885PTGDR2 443/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 ERN1 474/4885CYP2A6 3384/4885PTGDR2 443/4885

“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.