SCHEMBL7910317

SCHEMBL7910317

O=C(CCC(F)(F)F)c1cc(Cl)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 4/20 0.41
F2R P25116 1/20 0.40
P2RX1 P51575 3/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
NOS2 P35228 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
TP53 P04637 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL14776986 0.88 TMPRSS4 (0.40) TMPRSS4F2RP2RX1NOS2NPC1
SCHEMBL6744199 0.79 F2R (0.56) F2RNOS2HPGDALDH1A1MAPK1
SCHEMBL27598378 0.75 F2R (0.48) F2RNOS2HPGDRAB9ASMN1; SMN2
SCHEMBL28422432 0.73 GSK3B (0.53) NPC1HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL14776428 0.72 F2R (0.37) TMPRSS4F2RNPC1HPGDRAB9A
SCHEMBL7900438 0.72 F2R (0.37) TMPRSS4F2RNPC1HPGDRAB9A
SCHEMBL28417201 0.71 ERCC5 (0.53) SMN1; SMN2ALDH1A1ERCC5FEN1KCNH2
SCHEMBL28418612 0.70 ERCC5 (0.50) HPGDRAB9ASMN1; SMN2ALDH1A1ERCC5
SCHEMBL500072 0.70 TP53 (0.63) SMN1; SMN2ALDH1A1TP53CA1CA2
SCHEMBL1669829 0.70 ALDH1A1 (0.47) TMPRSS4F2RNPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373317-B1 4-amino-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one or 4-amino-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one derivatives as activators of the soluble guanylat cyclase for the treatment of cardiovascular diseases MERCK SHARP & DOHME (US) 2016-12-14 EP disclosed
US-9365574-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
EP-2575473-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-01-20 EP disclosed
US-8741910-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8741910-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2575473-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2013-04-10 EP disclosed
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-03-21 US disclosed
WO-2011149921-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 WO disclosed
US-20110218202-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2011-09-08 US disclosed
US-20110218202-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2011-09-08 US disclosed
WO-2010065275-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2010-06-10 WO 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-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE2A TMPRSS4 4009/4885F2R 2638/4885P2RX1 614/4885
US-20110218202-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE2A, GUCY1A2, PDE3A TMPRSS4 4330/4885F2R 1934/4885P2RX1 445/4885

“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.