SCHEMBL1596947

SCHEMBL1596947

Nc1c(Cl)cc(C(c2cc(Cl)c(N)c(Br)c2)C(c2cc(Cl)c(N)c(Br)c2)c2cc(Cl)c(N)c(Br)c2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA9 Q16790 6/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL1595637 0.83 CYP3A4 (0.55) CA1CA2CA9CYP1A2CYP2C9
SCHEMBL1596755 0.83 GAA (0.55) CA1CA2CA9CYP1A2CYP2C9
SCHEMBL7147396 0.77 ADRB1 (0.45) CA1CA2CA9ALOX15HIF1A
SCHEMBL31424216 0.73 CA1 (0.54) CA1CA2CA9CYP1A2HIF1A
SCHEMBL525650 0.73 CYP3A4 (0.65) CA1CA2CA9GAAMAPT
SCHEMBL31050390 0.73 CA1 (0.54) CA1CA2CA9HSD17B10GAA
SCHEMBL9772902 0.73 CA1 (0.54) CA1CA2CA9GAAMAPT
SCHEMBL6217810 0.73 CA1 (0.54) CA1CA2CA9CYP1A2HIF1A
SCHEMBL3605101 0.73 CA1 (0.54) CA1CA2CA9HSD17B10GAA
SCHEMBL1596630 0.73 HSD17B10 (0.70) CA1CA2CYP1A2CYP2C9ALOX15

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-1780224-B1 MULTIBRANCHED POLYMERS AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO (JP) 2015-02-18 EP disclosed
US-8710165-B2 Multibranched polymer and method for producing the same NIPPON SODA CO., LTD. (JP) 2014-04-29 US disclosed
US-20110152388-A1 Multibranched polymer and method for producing the same NIPPON SODA CO., LTD. (JP) 2011-06-23 US disclosed
US-7919570-B2 narrowly dispersed; controlled molecular weight; ionic conductivity, shape stability; battery adhesive or binder; 1,1,2,2-tetrakis(4-hydroxyphenyl)ethane or pentaerythritol reacted with bromoisobutyroyl bromide for core; living radical polymerization of acrylate or a styrene at halogen atoms as the arms NIPPON SODA CO., LTD. (JP) 2011-04-05 US disclosed
US-7601784-B2 1,1,2,2-tetrakis(4-hydroxyphenyl)ethane is used to molecular alignment, chemical stabilization, heat resist, flexiable and modification of the polyether having hydrogen bond sites; for waste water treatments, energy transducers, conductors NIPPON SODA CO., LTD. (JP) 2009-10-13 US disclosed
US-20080214685-A1 Multibrached Polymer and Method for Producing the Same NIPPON SODA CO., LTD. (JP) 2008-09-04 US disclosed
EP-1792947-A1 Molecular compound comprising polymer having hydrogen bond as component compound NIPPON SODA CO., LTD. (JP) 2007-06-06 EP disclosed
EP-1780224-A1 MULTIBRANCHED POLYMERS AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO., LTD. (JP) 2007-05-02 EP disclosed
US-20050228167-A1 Molecular compounds containing polymers having hydrogen bond sites as the constituent compounds NIPPON SODA CO., LTD. (JP) 2005-10-13 US disclosed
US-20020193528-A1 Molecular compound comprising polymer having hydrogen bond as component compound NIPPON SODA CO., LTD. (JP) 2002-12-19 US disclosed
EP-1241230-A1 MOLECULAR COMPOUND COMPRISING POLYMER HAVING HYDROGEN BOND AS COMPONENT COMPOUND NIPPON SODA CO., LTD. (JP) 2002-09-18 EP 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-20020193528-A1 Molecular compound comprising polymer having hydrogen bond as component compound PIEZO1, PARN, PARG CA1 2814/4885CA2 1953/4885CA9 4446/4885

“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.